N-(2-amino-1-cyclohexylethyl)-5-(benzenesulfonyl)thiophene-2-carboxamide

C19H24N2O3S2 — CID 119589308

IUPACN-(2-amino-1-cyclohexylethyl)-5-(benzenesulfonyl)thiophene-2-carboxamide
SMILESNCC(NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)C1CCCCC1
InChIInChI=1S/C19H24N2O3S2/c20-13-16(14-7-3-1-4-8-14)21-19(22)17-11-12-18(25-17)26(23,24)15-9-5-2-6-10-15/h2,5-6,9-12,14,16H,1,3-4,7-8,13,20H2,(H,21,22)
InChIKeyXWVMSARGHHIFSI-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.22
Rot. Bonds6

About N-(2-amino-1-cyclohexylethyl)-5-(benzenesulfonyl)thiophene-2-carboxamide

N-(2-amino-1-cyclohexylethyl)-5-(benzenesulfonyl)thiophene-2-carboxamide (PubChem CID 119589308) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-5-(benzenesulfonyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-5-(benzenesulfonyl)thiophene-2-carboxamide
PubChem CID119589308
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC NameN-(2-amino-1-cyclohexylethyl)-5-(benzenesulfonyl)thiophene-2-carboxamide
SMILESNCC(NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)C1CCCCC1
InChIInChI=1S/C19H24N2O3S2/c20-13-16(14-7-3-1-4-8-14)21-19(22)17-11-12-18(25-17)26(23,24)15-9-5-2-6-10-15/h2,5-6,9-12,14,16H,1,3-4,7-8,13,20H2,(H,21,22)
InChIKeyXWVMSARGHHIFSI-UHFFFAOYSA-N
XLogP3.22
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride
CID 119589307
N-(1-amino-4-methylpentan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride
CID 119585769
N-(2-amino-1-cyclopentylethyl)-5-ethylthiophene-2-carboxamide
CID 106737412
N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
CID 81487183
N-(1-amino-2-cyclopropylpropan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide
CID 119572631
N-(2-amino-1-cyclopentylethyl)-1-benzothiophene-2-carboxamide
CID 106737595
N-(2-amino-1-cyclopentylethyl)-5-nitrothiophene-2-carboxamide
CID 106737535
N-(2-amino-1-cyclohexylethyl)benzenesulfonamide
CID 61122381
N-(2-amino-2-methylpropyl)-5-(benzenesulfonyl)thiophene-2-carboxamide
CID 119626257
N-(2-amino-1-cyclohexylethyl)-2-iodobenzamide
CID 81487660
5-(4-chlorophenyl)sulfonyl-N-cyclohexylthiophene-2-carboxamide
CID 53124624
N-(2-amino-1-cyclohexylethyl)-2-propan-2-ylsulfonylbenzamide
CID 119591550

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-5-(benzenesulfonyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-5-(benzenesulfonyl)thiophene-2-carboxamide (CID 119589308) is N-(2-amino-1-cyclohexylethyl)-5-(benzenesulfonyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-5-(benzenesulfonyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-5-(benzenesulfonyl)thiophene-2-carboxamide is NCC(NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-5-(benzenesulfonyl)thiophene-2-carboxamide?
The InChIKey is XWVMSARGHHIFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c20-13-16(14-7-3-1-4-8-14)21-19(22)17-11-12-18(25-17)26(23,24)15-9-5-2-6-10-15/h2,5-6,9-12,14,16H,1,3-4,7-8,13,20H2,(H,21,22).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-5-(benzenesulfonyl)thiophene-2-carboxamide?
N-(2-amino-1-cyclohexylethyl)-5-(benzenesulfonyl)thiophene-2-carboxamide has a molecular weight of 392.55 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-5-(benzenesulfonyl)thiophene-2-carboxamide is sourced from PubChem (CID 119589308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).