5-(5-chlorothiophen-2-yl)-N-[(3S)-1-[2-[(2S)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide

C24H33ClN4O5S3 — CID 59056466

IUPAC5-(5-chlorothiophen-2-yl)-N-[(3S)-1-[2-[(2S)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide
SMILESCOCCN(C)C[C@@H]1CCCN1C(=O)CN1CCC[C@H](NS(=O)(=O)c2ccc(-c3ccc(Cl)s3)s2)C1=O
InChIInChI=1S/C24H33ClN4O5S3/c1-27(13-14-34-2)15-17-5-3-12-29(17)22(30)16-28-11-4-6-18(24(28)31)26-37(32,33)23-10-8-20(36-23)19-7-9-21(25)35-19/h7-10,17-18,26H,3-6,11-16H2,1-2H3/t17-,18-/m0/s1
InChIKeyVYOONWVWYHMYBF-ROUUACIJSA-N
MW589.21 g/mol
LogP2.97
Rot. Bonds11

About 5-(5-chlorothiophen-2-yl)-N-[(3S)-1-[2-[(2S)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide

5-(5-chlorothiophen-2-yl)-N-[(3S)-1-[2-[(2S)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide (PubChem CID 59056466) has the molecular formula C24H33ClN4O5S3 and a molecular weight of 589.21 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-N-[(3S)-1-[2-[(2S)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-N-[(3S)-1-[2-[(2S)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide
PubChem CID59056466
Molecular FormulaC24H33ClN4O5S3
Molecular Weight589.21 g/mol
Exact Mass588.13
IUPAC Name5-(5-chlorothiophen-2-yl)-N-[(3S)-1-[2-[(2S)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide
SMILESCOCCN(C)C[C@@H]1CCCN1C(=O)CN1CCC[C@H](NS(=O)(=O)c2ccc(-c3ccc(Cl)s3)s2)C1=O
InChIInChI=1S/C24H33ClN4O5S3/c1-27(13-14-34-2)15-17-5-3-12-29(17)22(30)16-28-11-4-6-18(24(28)31)26-37(32,33)23-10-8-20(36-23)19-7-9-21(25)35-19/h7-10,17-18,26H,3-6,11-16H2,1-2H3/t17-,18-/m0/s1
InChIKeyVYOONWVWYHMYBF-ROUUACIJSA-N
XLogP2.97
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500589.21
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(5-chlorothiophen-2-yl)-N-[(3S)-1-[2-[(2S)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide with MolForge

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Related Compounds

5-(5-chlorothiophen-2-yl)-N-[(3S)-1-[2-[(2S)-2-[(dicyclohexylamino)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide
CID 59056421
N-[[1-[2-[3-[[5-(5-chlorothiophen-2-yl)thiophen-2-yl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]propanamide
CID 20581629
5-(5-chlorothiophen-2-yl)-N-[1-[2-[2-(2,5-dihydropyrrol-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide
CID 20581154
N-[1-[2-[2-[(4-acetylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]-5-(5-chlorothiophen-2-yl)thiophene-2-sulfonamide
CID 20581575
ethyl 1-[[1-[2-[3-[[5-(5-chlorothiophen-2-yl)thiophen-2-yl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]piperidine-3-carboxylate
CID 20581484
N-[1-[[(2S)-1-[2-[(3S)-3-[[5-(5-chlorothiophen-2-yl)thiophen-2-yl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]pyrrolidin-3-yl]acetamide
CID 59056331
5-(5-chlorothiophen-2-yl)-N-[2-oxo-1-[2-oxo-2-[2-[(pyridin-3-ylamino)methyl]pyrrolidin-1-yl]ethyl]piperidin-3-yl]thiophene-2-sulfonamide
CID 20581191
N-[[(2S)-1-[2-[(3S)-3-[[5-(5-chlorothiophen-2-yl)thiophen-2-yl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 59056867
5-(5-chlorothiophen-2-yl)-N-methyl-N-[2-oxo-1-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]piperidin-3-yl]thiophene-2-sulfonamide
CID 20581201
N-[1-[[(2S)-1-[2-[(3S)-3-[2-(5-chlorothiophen-2-yl)ethenylsulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]pyrrolidin-3-yl]-3-methoxy-N-methylpropanamide
CID 90763169
5-(3-acetylphenyl)-N-[2-oxo-1-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]piperidin-3-yl]thiophene-2-sulfonamide
CID 20581145
5-chloro-N-[1-[2-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]-1-benzothiophene-2-sulfonamide
CID 20581210

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-N-[(3S)-1-[2-[(2S)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-N-[(3S)-1-[2-[(2S)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide (CID 59056466) is 5-(5-chlorothiophen-2-yl)-N-[(3S)-1-[2-[(2S)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-N-[(3S)-1-[2-[(2S)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-N-[(3S)-1-[2-[(2S)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide is COCCN(C)C[C@@H]1CCCN1C(=O)CN1CCC[C@H](NS(=O)(=O)c2ccc(-c3ccc(Cl)s3)s2)C1=O.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-N-[(3S)-1-[2-[(2S)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide?
The InChIKey is VYOONWVWYHMYBF-ROUUACIJSA-N. The full InChI is InChI=1S/C24H33ClN4O5S3/c1-27(13-14-34-2)15-17-5-3-12-29(17)22(30)16-28-11-4-6-18(24(28)31)26-37(32,33)23-10-8-20(36-23)19-7-9-21(25)35-19/h7-10,17-18,26H,3-6,11-16H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of 5-(5-chlorothiophen-2-yl)-N-[(3S)-1-[2-[(2S)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide?
5-(5-chlorothiophen-2-yl)-N-[(3S)-1-[2-[(2S)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide has a molecular weight of 589.21 g/mol, XLogP of 2.97, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-N-[(3S)-1-[2-[(2S)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 59056466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).