N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

C14H19N5O3S2 — CID 91769681

IUPACN-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCC(NC(=O)c1sccc1S(=O)(=O)N1CCCC1)c1ncnn1C
InChIInChI=1S/C14H19N5O3S2/c1-10(13-15-9-16-18(13)2)17-14(20)12-11(5-8-23-12)24(21,22)19-6-3-4-7-19/h5,8-10H,3-4,6-7H2,1-2H3,(H,17,20)
InChIKeyOQSZTRNILDKWIL-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.15
Rot. Bonds5

About N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 91769681) has the molecular formula C14H19N5O3S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID91769681
Molecular FormulaC14H19N5O3S2
Molecular Weight369.47 g/mol
Exact Mass369.09
IUPAC NameN-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCC(NC(=O)c1sccc1S(=O)(=O)N1CCCC1)c1ncnn1C
InChIInChI=1S/C14H19N5O3S2/c1-10(13-15-9-16-18(13)2)17-14(20)12-11(5-8-23-12)24(21,22)19-6-3-4-7-19/h5,8-10H,3-4,6-7H2,1-2H3,(H,17,20)
InChIKeyOQSZTRNILDKWIL-UHFFFAOYSA-N
XLogP1.15
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-methylpropanoylamino)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 32626260
N-[2-(methylamino)propyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 120829612
N-(1-imidazol-1-ylpropan-2-yl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 47031140
N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 55456444
N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 60618643
N-[(1S)-1-cyano-2-methoxyethyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 97335513
(4-methylpiperazin-1-yl)-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
CID 134033914
methyl N-[4-[(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]phenyl]carbamate
CID 55804603
3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]butanoic acid
CID 119221163
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-propan-2-ylthiophene-2-carboxamide
CID 46532010
N-[[4-(2-methylpropoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55897304
3-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 55464525

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (CID 91769681) is N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is CC(NC(=O)c1sccc1S(=O)(=O)N1CCCC1)c1ncnn1C.
What is the InChIKey of N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is OQSZTRNILDKWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S2/c1-10(13-15-9-16-18(13)2)17-14(20)12-11(5-8-23-12)24(21,22)19-6-3-4-7-19/h5,8-10H,3-4,6-7H2,1-2H3,(H,17,20).
What are the key properties of N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 91769681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).