2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide

C20H26N2O4S2 — CID 7966742

IUPAC2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
SMILESCOc1ccccc1N(CC(=O)N[C@H]1CCCC[C@H]1C)S(=O)(=O)c1cccs1
InChIInChI=1S/C20H26N2O4S2/c1-15-8-3-4-9-16(15)21-19(23)14-22(17-10-5-6-11-18(17)26-2)28(24,25)20-12-7-13-27-20/h5-7,10-13,15-16H,3-4,8-9,14H2,1-2H3,(H,21,23)/t15-,16+/m1/s1
InChIKeyYUOZXNCICHRWKJ-CVEARBPZSA-N
MW422.57 g/mol
LogP3.65
Rot. Bonds7

About 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide

2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide (PubChem CID 7966742) has the molecular formula C20H26N2O4S2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
PubChem CID7966742
Molecular FormulaC20H26N2O4S2
Molecular Weight422.57 g/mol
Exact Mass422.13
IUPAC Name2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
SMILESCOc1ccccc1N(CC(=O)N[C@H]1CCCC[C@H]1C)S(=O)(=O)c1cccs1
InChIInChI=1S/C20H26N2O4S2/c1-15-8-3-4-9-16(15)21-19(23)14-22(17-10-5-6-11-18(17)26-2)28(24,25)20-12-7-13-27-20/h5-7,10-13,15-16H,3-4,8-9,14H2,1-2H3,(H,21,23)/t15-,16+/m1/s1
InChIKeyYUOZXNCICHRWKJ-CVEARBPZSA-N
XLogP3.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-methylcyclohexyl)acetamide
CID 4297432
N-cyclopentyl-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30256064
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 124740588
(2S)-N-cycloheptyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)propanamide
CID 41073692
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-cyclopentylacetamide
CID 3139224
N-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 47004357
N-[(4-chlorophenyl)methyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 29221629
2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 24626467
N-[2-(4-methoxyphenyl)ethyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 29221650
N-cyclohexyl-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 53280380
2-(2-methoxyphenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7834380
N-(2-methylcyclohexyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 42951526

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide (CID 7966742) is 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide is COc1ccccc1N(CC(=O)N[C@H]1CCCC[C@H]1C)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
The InChIKey is YUOZXNCICHRWKJ-CVEARBPZSA-N. The full InChI is InChI=1S/C20H26N2O4S2/c1-15-8-3-4-9-16(15)21-19(23)14-22(17-10-5-6-11-18(17)26-2)28(24,25)20-12-7-13-27-20/h5-7,10-13,15-16H,3-4,8-9,14H2,1-2H3,(H,21,23)/t15-,16+/m1/s1.
What are the key properties of 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide has a molecular weight of 422.57 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 7966742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).