N-(5-amino-2-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride

C18H24ClN3O3S2 — CID 120568556

IUPACN-(5-amino-2-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1.Cl
InChIInChI=1S/C18H23N3O3S2.ClH/c1-12-7-9-21(10-8-12)26(23,24)17-6-5-16(25-17)18(22)20-15-11-14(19)4-3-13(15)2;/h3-6,11-12H,7-10,19H2,1-2H3,(H,20,22);1H
InChIKeyXNLLDPMWIBJCJN-UHFFFAOYSA-N
MW430.00 g/mol
LogP3.73
Rot. Bonds4

About N-(5-amino-2-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride

N-(5-amino-2-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride (PubChem CID 120568556) has the molecular formula C18H24ClN3O3S2 and a molecular weight of 430.00 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride
PubChem CID120568556
Molecular FormulaC18H24ClN3O3S2
Molecular Weight430.00 g/mol
Exact Mass429.09
IUPAC NameN-(5-amino-2-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1.Cl
InChIInChI=1S/C18H23N3O3S2.ClH/c1-12-7-9-21(10-8-12)26(23,24)17-6-5-16(25-17)18(22)20-15-11-14(19)4-3-13(15)2;/h3-6,11-12H,7-10,19H2,1-2H3,(H,20,22);1H
InChIKeyXNLLDPMWIBJCJN-UHFFFAOYSA-N
XLogP3.73
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.00
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride
CID 120506434
5-(4-methylpiperidin-1-yl)sulfonyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 119449859
N-[(2S)-1-aminopropan-2-yl]-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
CID 120506435
N-(5-amino-2-methylphenyl)-4-methylpiperidine-1-sulfonamide
CID 28783386
N-(3,4-dimethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 53066366
N-(5-amino-2-methylphenyl)-5-bromothiophene-2-carboxamide
CID 18070471
5-(4-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 119533771
N-(5-amino-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 120568671
[(3R)-3-aminopyrrolidin-1-yl]-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanone;hydrochloride
CID 119409563
N-[(2-chlorophenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
CID 53066269
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanone
CID 120656340
[(3R)-3-aminopyrrolidin-1-yl]-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanone
CID 119409564

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(5-amino-2-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride (CID 120568556) is N-(5-amino-2-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(5-amino-2-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride is Cc1ccc(N)cc1NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1.Cl.
What is the InChIKey of N-(5-amino-2-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride?
The InChIKey is XNLLDPMWIBJCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2.ClH/c1-12-7-9-21(10-8-12)26(23,24)17-6-5-16(25-17)18(22)20-15-11-14(19)4-3-13(15)2;/h3-6,11-12H,7-10,19H2,1-2H3,(H,20,22);1H.
What are the key properties of N-(5-amino-2-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride?
N-(5-amino-2-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride has a molecular weight of 430.00 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120568556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).