N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

C16H20N2O3S3 — CID 51338589

IUPACN-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCc1ccsc1CN(C)C(=O)c1sccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C16H20N2O3S3/c1-12-5-9-22-13(12)11-17(2)16(19)15-14(6-10-23-15)24(20,21)18-7-3-4-8-18/h5-6,9-10H,3-4,7-8,11H2,1-2H3
InChIKeyQYIQLKHSOCYICA-UHFFFAOYSA-N
MW384.55 g/mol
LogP3.17
Rot. Bonds5

About N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 51338589) has the molecular formula C16H20N2O3S3 and a molecular weight of 384.55 g/mol. Its IUPAC name is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID51338589
Molecular FormulaC16H20N2O3S3
Molecular Weight384.55 g/mol
Exact Mass384.06
IUPAC NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCc1ccsc1CN(C)C(=O)c1sccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C16H20N2O3S3/c1-12-5-9-22-13(12)11-17(2)16(19)15-14(6-10-23-15)24(20,21)18-7-3-4-8-18/h5-6,9-10H,3-4,7-8,11H2,1-2H3
InChIKeyQYIQLKHSOCYICA-UHFFFAOYSA-N
XLogP3.17
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(2-anilino-2-oxoethyl)-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
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N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 32622153
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 24667638
3-piperidin-1-ylsulfonyl-N,N-dipropylthiophene-2-carboxamide
CID 55524372
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 32623057
1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
CID 55364438
N-methyl-N-(2-pyridin-2-ylethyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 134037324
N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 119068920
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (CID 51338589) is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is Cc1ccsc1CN(C)C(=O)c1sccc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is QYIQLKHSOCYICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S3/c1-12-5-9-22-13(12)11-17(2)16(19)15-14(6-10-23-15)24(20,21)18-7-3-4-8-18/h5-6,9-10H,3-4,7-8,11H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 384.55 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 51338589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).