N-cyclopentyl-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-methylacetamide

C23H30N2O4S2 — CID 38016000

IUPACN-cyclopentyl-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-methylacetamide
SMILESCCOc1ccccc1N(CC(=O)N(C)C1CCCC1)S(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C23H30N2O4S2/c1-4-29-22-12-8-7-11-21(22)25(17-23(26)24(2)18-9-5-6-10-18)31(27,28)20-15-13-19(30-3)14-16-20/h7-8,11-16,18H,4-6,9-10,17H2,1-3H3
InChIKeyNOPVZSGCEQMUBW-UHFFFAOYSA-N
MW462.64 g/mol
LogP4.40
Rot. Bonds9

About N-cyclopentyl-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-methylacetamide

N-cyclopentyl-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-methylacetamide (PubChem CID 38016000) has the molecular formula C23H30N2O4S2 and a molecular weight of 462.64 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-methylacetamide
PubChem CID38016000
Molecular FormulaC23H30N2O4S2
Molecular Weight462.64 g/mol
Exact Mass462.16
IUPAC NameN-cyclopentyl-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-methylacetamide
SMILESCCOc1ccccc1N(CC(=O)N(C)C1CCCC1)S(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C23H30N2O4S2/c1-4-29-22-12-8-7-11-21(22)25(17-23(26)24(2)18-9-5-6-10-18)31(27,28)20-15-13-19(30-3)14-16-20/h7-8,11-16,18H,4-6,9-10,17H2,1-3H3
InChIKeyNOPVZSGCEQMUBW-UHFFFAOYSA-N
XLogP4.40
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.64
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-cyclopentyl-2-[[2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 125055838
(2S)-N-cyclohexyl-2-[[2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide
CID 100519693
N-(2-ethoxyphenyl)-4-methylsulfanyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 2974007
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 98215423
(2S)-N-cyclohexyl-2-[[2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 100546490
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(2-ethoxyphenyl)methyl]acetamide
CID 46769210
(2R)-N-cyclopentyl-2-[[2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]butanamide
CID 125056353
(2S)-N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]amino]propanamide
CID 100504571
N-cyclopentyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide
CID 92681273
N-cyclopentyl-2-[[2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132639771
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 2232163
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-prop-2-enylacetamide
CID 53280295

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-methylacetamide?
The IUPAC name of N-cyclopentyl-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-methylacetamide (CID 38016000) is N-cyclopentyl-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-methylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-methylacetamide?
The canonical SMILES for N-cyclopentyl-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-methylacetamide is CCOc1ccccc1N(CC(=O)N(C)C1CCCC1)S(=O)(=O)c1ccc(SC)cc1.
What is the InChIKey of N-cyclopentyl-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-methylacetamide?
The InChIKey is NOPVZSGCEQMUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S2/c1-4-29-22-12-8-7-11-21(22)25(17-23(26)24(2)18-9-5-6-10-18)31(27,28)20-15-13-19(30-3)14-16-20/h7-8,11-16,18H,4-6,9-10,17H2,1-3H3.
What are the key properties of N-cyclopentyl-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-methylacetamide?
N-cyclopentyl-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-methylacetamide has a molecular weight of 462.64 g/mol, XLogP of 4.40, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-methylacetamide is sourced from PubChem (CID 38016000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).