N-pyrrolidin-3-yl-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide;hydrochloride

C14H18ClN3O3S3 — CID 119451091

IUPACN-pyrrolidin-3-yl-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)c1sccc1S(=O)(=O)NCc1cccs1
InChIInChI=1S/C14H17N3O3S3.ClH/c18-14(17-10-3-5-15-8-10)13-12(4-7-22-13)23(19,20)16-9-11-2-1-6-21-11;/h1-2,4,6-7,10,15-16H,3,5,8-9H2,(H,17,18);1H
InChIKeyUOUDGSIGHCHDDL-UHFFFAOYSA-N
MW407.97 g/mol
LogP1.80
Rot. Bonds6

About N-pyrrolidin-3-yl-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide;hydrochloride

N-pyrrolidin-3-yl-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide;hydrochloride (PubChem CID 119451091) has the molecular formula C14H18ClN3O3S3 and a molecular weight of 407.97 g/mol. Its IUPAC name is N-pyrrolidin-3-yl-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-pyrrolidin-3-yl-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide;hydrochloride
PubChem CID119451091
Molecular FormulaC14H18ClN3O3S3
Molecular Weight407.97 g/mol
Exact Mass407.02
IUPAC NameN-pyrrolidin-3-yl-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)c1sccc1S(=O)(=O)NCc1cccs1
InChIInChI=1S/C14H17N3O3S3.ClH/c18-14(17-10-3-5-15-8-10)13-12(4-7-22-13)23(19,20)16-9-11-2-1-6-21-11;/h1-2,4,6-7,10,15-16H,3,5,8-9H2,(H,17,18);1H
InChIKeyUOUDGSIGHCHDDL-UHFFFAOYSA-N
XLogP1.80
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.97
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(methylamino)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride
CID 119561195
N-[2-(cyclopropylmethoxy)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide
CID 86900163
3-(difluoromethylsulfonyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 119450494
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 126775559
N-(2-methylpiperidin-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120598211
N-pyrrolidin-3-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119454255
1-(azepan-3-yl)-3-(thiophen-2-ylmethyl)urea
CID 117235910
3-morpholin-4-ylsulfonyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119386595
N-[(2,5-dimethylfuran-3-yl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide
CID 86951524
3-ethyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866507
N-cyclohexyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 3228850
N-piperidin-3-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride
CID 119426390

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-yl-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-pyrrolidin-3-yl-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide;hydrochloride (CID 119451091) is N-pyrrolidin-3-yl-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-pyrrolidin-3-yl-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-pyrrolidin-3-yl-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide;hydrochloride is Cl.O=C(NC1CCNC1)c1sccc1S(=O)(=O)NCc1cccs1.
What is the InChIKey of N-pyrrolidin-3-yl-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide;hydrochloride?
The InChIKey is UOUDGSIGHCHDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S3.ClH/c18-14(17-10-3-5-15-8-10)13-12(4-7-22-13)23(19,20)16-9-11-2-1-6-21-11;/h1-2,4,6-7,10,15-16H,3,5,8-9H2,(H,17,18);1H.
What are the key properties of N-pyrrolidin-3-yl-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide;hydrochloride?
N-pyrrolidin-3-yl-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 407.97 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-yl-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119451091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).