N-[3-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]phenyl]thiophene-2-carboxamide

C22H23N3O4S3 — CID 46553189

IUPACN-[3-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C22H23N3O4S3/c26-20(15-18-9-10-21(31-18)32(28,29)25-11-2-1-3-12-25)23-16-6-4-7-17(14-16)24-22(27)19-8-5-13-30-19/h4-10,13-14H,1-3,11-12,15H2,(H,23,26)(H,24,27)
InChIKeyLORSBZBLCNHLGQ-UHFFFAOYSA-N
MW489.64 g/mol
LogP4.42
Rot. Bonds7

About N-[3-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]phenyl]thiophene-2-carboxamide

N-[3-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]phenyl]thiophene-2-carboxamide (PubChem CID 46553189) has the molecular formula C22H23N3O4S3 and a molecular weight of 489.64 g/mol. Its IUPAC name is N-[3-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
PubChem CID46553189
Molecular FormulaC22H23N3O4S3
Molecular Weight489.64 g/mol
Exact Mass489.09
IUPAC NameN-[3-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C22H23N3O4S3/c26-20(15-18-9-10-21(31-18)32(28,29)25-11-2-1-3-12-25)23-16-6-4-7-17(14-16)24-22(27)19-8-5-13-30-19/h4-10,13-14H,1-3,11-12,15H2,(H,23,26)(H,24,27)
InChIKeyLORSBZBLCNHLGQ-UHFFFAOYSA-N
XLogP4.42
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.64
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-hydroxyphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 78783462
N-[3-(hydroxymethyl)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 112766702
N-(3-methylsulfanylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 39754579
2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 26087846
N-[3-[ethyl(methyl)amino]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 60607705
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55836799
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 32581307
tert-butyl N-methyl-N-[[3-[[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]phenyl]methyl]carbamate
CID 55930910
N-(3-chloro-2-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 35535192
N-cyclopropyl-4-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide
CID 46553984
2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 36672065
N-(6-amino-3-pyridinyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119515991

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]phenyl]thiophene-2-carboxamide (CID 46553189) is N-[3-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]phenyl]thiophene-2-carboxamide is O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]phenyl]thiophene-2-carboxamide?
The InChIKey is LORSBZBLCNHLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S3/c26-20(15-18-9-10-21(31-18)32(28,29)25-11-2-1-3-12-25)23-16-6-4-7-17(14-16)24-22(27)19-8-5-13-30-19/h4-10,13-14H,1-3,11-12,15H2,(H,23,26)(H,24,27).
What are the key properties of N-[3-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]phenyl]thiophene-2-carboxamide?
N-[3-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]phenyl]thiophene-2-carboxamide has a molecular weight of 489.64 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 46553189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).