N-(1-amino-2-cyclopropylpropan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide

C17H20N2O3S2 — CID 119572631

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide
SMILESCC(CN)(NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)C1CC1
InChIInChI=1S/C17H20N2O3S2/c1-17(11-18,12-7-8-12)19-16(20)14-9-10-15(23-14)24(21,22)13-5-3-2-4-6-13/h2-6,9-10,12H,7-8,11,18H2,1H3,(H,19,20)
InChIKeyRLQBYBXDJUTOSW-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.44
Rot. Bonds6

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

N-(1-amino-2-cyclopropylpropan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide (PubChem CID 119572631) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide
PubChem CID119572631
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide
SMILESCC(CN)(NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)C1CC1
InChIInChI=1S/C17H20N2O3S2/c1-17(11-18,12-7-8-12)19-16(20)14-9-10-15(23-14)24(21,22)13-5-3-2-4-6-13/h2-6,9-10,12H,7-8,11,18H2,1H3,(H,19,20)
InChIKeyRLQBYBXDJUTOSW-UHFFFAOYSA-N
XLogP2.44
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Diethylsulfamoyl-thiophene-2-carboxylic acid benzylamide
CID 647357
8-(Benzenesulfonyl)-1-(5-methylthiophene-2-carbonyl)-1,4,8-triazacycloundecan-5-one
CID 110200816
5-(4-Methylbenzenesulfonyl)-N-(propan-2-YL)thiophene-2-carboxamide
CID 53124563
4-fluoro-N-[(2S)-3-methyl-1-oxo-1-[(5-sulfamoylthiophen-2-yl)methylamino]butan-2-yl]benzamide
CID 55938069
2-fluoro-N-[(2S)-3-methyl-1-oxo-1-[(5-sulfamoylthiophen-2-yl)methylamino]butan-2-yl]benzamide
CID 55943037
N-(1-amino-2-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 119572347
N-(1-amino-2-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)-4-methylthiophene-2-carboxamide
CID 119574958
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide
CID 119576078
N-(3-methylbutan-2-yl)-5-methylsulfonylthiophene-2-carboxamide
CID 18712156
N-[(5-tert-butylsulfonylthiophen-2-yl)methyl]-4-methylbenzamide
CID 20680838
N-[(5-tert-butylsulfonylthiophen-2-yl)methyl]benzamide
CID 20680891
N-[[5-(propan-2-ylsulfamoyl)thiophen-2-yl]methyl]benzamide
CID 23548815

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide (CID 119572631) is N-(1-amino-2-cyclopropylpropan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide is CC(CN)(NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide?
The InChIKey is RLQBYBXDJUTOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-17(11-18,12-7-8-12)19-16(20)14-9-10-15(23-14)24(21,22)13-5-3-2-4-6-13/h2-6,9-10,12H,7-8,11,18H2,1H3,(H,19,20).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide is sourced from PubChem (CID 119572631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).