N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]thiophene-2-sulfonamide

C17H21N3O3S2 — CID 120622781

IUPACN-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]thiophene-2-sulfonamide
SMILESCc1ccc(N)cc1C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H21N3O3S2/c1-12-4-5-13(18)11-15(12)17(21)20-8-6-14(7-9-20)19-25(22,23)16-3-2-10-24-16/h2-5,10-11,14,19H,6-9,18H2,1H3
InChIKeyQSUXHLVGKPVWCJ-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.22
Rot. Bonds4

About N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]thiophene-2-sulfonamide

N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]thiophene-2-sulfonamide (PubChem CID 120622781) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]thiophene-2-sulfonamide
PubChem CID120622781
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC NameN-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]thiophene-2-sulfonamide
SMILESCc1ccc(N)cc1C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H21N3O3S2/c1-12-4-5-13(18)11-15(12)17(21)20-8-6-14(7-9-20)19-25(22,23)16-3-2-10-24-16/h2-5,10-11,14,19H,6-9,18H2,1H3
InChIKeyQSUXHLVGKPVWCJ-UHFFFAOYSA-N
XLogP2.22
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.22
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-[1-(5-bromo-2-hydroxybenzoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 17484080
N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride
CID 119291177
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33348692
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119291186
N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 110822400
N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 46450714
N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33173707
N-cyclopropyl-4-methyl-3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 30536533
N-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 71970091
ethyl 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 33170749
N-[1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 52671099
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119726760

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]thiophene-2-sulfonamide (CID 120622781) is N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]thiophene-2-sulfonamide is Cc1ccc(N)cc1C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]thiophene-2-sulfonamide?
The InChIKey is QSUXHLVGKPVWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c1-12-4-5-13(18)11-15(12)17(21)20-8-6-14(7-9-20)19-25(22,23)16-3-2-10-24-16/h2-5,10-11,14,19H,6-9,18H2,1H3.
What are the key properties of N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]thiophene-2-sulfonamide?
N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]thiophene-2-sulfonamide has a molecular weight of 379.51 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 120622781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).