N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide

C24H33N3O4S2 — CID 146013993

IUPACN-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](Cc2cccs2)NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C24H33N3O4S2/c1-24(2,3)27-33(30,31)20-13-11-18(12-14-20)25-23(29)21(16-19-10-7-15-32-19)26-22(28)17-8-5-4-6-9-17/h7,10-15,17,21,27H,4-6,8-9,16H2,1-3H3,(H,25,29)(H,26,28)/t21-/m0/s1
InChIKeyGYBDLLAQLZPUFH-NRFANRHFSA-N
MW491.68 g/mol
LogP4.07
Rot. Bonds8

About N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide

N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide (PubChem CID 146013993) has the molecular formula C24H33N3O4S2 and a molecular weight of 491.68 g/mol. Its IUPAC name is N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide
PubChem CID146013993
Molecular FormulaC24H33N3O4S2
Molecular Weight491.68 g/mol
Exact Mass491.19
IUPAC NameN-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](Cc2cccs2)NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C24H33N3O4S2/c1-24(2,3)27-33(30,31)20-13-11-18(12-14-20)25-23(29)21(16-19-10-7-15-32-19)26-22(28)17-8-5-4-6-9-17/h7,10-15,17,21,27H,4-6,8-9,16H2,1-3H3,(H,25,29)(H,26,28)/t21-/m0/s1
InChIKeyGYBDLLAQLZPUFH-NRFANRHFSA-N
XLogP4.07
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.68
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 3640175
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N-[4-(Diethylamino)-2-methylphenyl]-3-methyl-2-(thiophene-2-sulfonamido)butanamide
CID 15988648
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CID 2931351
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CID 142474691
(S)-N-(1-((4-(N-(tert-Butyl)sulfamoyl)phenyl)amino)-1-oxo-3-(thiophen-2-yl)propan-2-yl)-4-fluorobenzamide
CID 142474771
(S)-N-(1-((4-(N-(tert-butyl)sulfamoyl)phenyl)amino)-3-cyclohexyl-1-oxopropan-2-yl)cyclohexanecarboxamide
CID 146503510
N-(3-Ethylphenyl)-3-phenyl-2-(thiophene-2-sulfonamido)propanamide
CID 15987880
N-(4-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 1305863
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-2-ylacetamide
CID 2931550
2-[(4-Cyclohexylsulfamoyl-benzenesulfonyl)-thiophen-2-ylmethyl-amino]-N-phenyl-acetamide
CID 3202196
1-(3-Phenyl-ureido)-cyclohexanecarboxylic acid (thiophen-2-ylmethyl)-amide
CID 3222702

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide (CID 146013993) is N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide is CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](Cc2cccs2)NC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide?
The InChIKey is GYBDLLAQLZPUFH-NRFANRHFSA-N. The full InChI is InChI=1S/C24H33N3O4S2/c1-24(2,3)27-33(30,31)20-13-11-18(12-14-20)25-23(29)21(16-19-10-7-15-32-19)26-22(28)17-8-5-4-6-9-17/h7,10-15,17,21,27H,4-6,8-9,16H2,1-3H3,(H,25,29)(H,26,28)/t21-/m0/s1.
What are the key properties of N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide?
N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide has a molecular weight of 491.68 g/mol, XLogP of 4.07, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 146013993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).