N-cycloheptyl-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide

C23H30N2O3S2 — CID 126029990

IUPACN-cycloheptyl-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
SMILESCSc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCC2)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H30N2O3S2/c1-18-9-11-20(12-10-18)25(17-23(26)24-19-7-5-3-4-6-8-19)30(27,28)22-15-13-21(29-2)14-16-22/h9-16,19H,3-8,17H2,1-2H3,(H,24,26)
InChIKeyVQSLSGVDYOLYJA-UHFFFAOYSA-N
MW446.64 g/mol
LogP4.75
Rot. Bonds7

About N-cycloheptyl-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide

N-cycloheptyl-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide (PubChem CID 126029990) has the molecular formula C23H30N2O3S2 and a molecular weight of 446.64 g/mol. Its IUPAC name is N-cycloheptyl-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
PubChem CID126029990
Molecular FormulaC23H30N2O3S2
Molecular Weight446.64 g/mol
Exact Mass446.17
IUPAC NameN-cycloheptyl-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
SMILESCSc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCC2)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H30N2O3S2/c1-18-9-11-20(12-10-18)25(17-23(26)24-19-7-5-3-4-6-8-19)30(27,28)22-15-13-21(29-2)14-16-22/h9-16,19H,3-8,17H2,1-2H3,(H,24,26)
InChIKeyVQSLSGVDYOLYJA-UHFFFAOYSA-N
XLogP4.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.64
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 1109471
N-cyclopentyl-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1102315
N-cyclohexyl-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 30170797
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 2279197
2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-propan-2-ylacetamide
CID 2260812
N-cyclopentyl-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1372290
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-cyclopentylacetamide
CID 30172800
(2R)-2-[benzyl-[2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 125080917
N-cyclopentyl-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1120603
(2R)-2-[(4-chlorophenyl)methyl-[2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]amino]-N-cyclohexylpropanamide
CID 125061399
2-[(3-chlorophenyl)methyl-[2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]amino]-N-cyclohexylpropanamide
CID 133261733
(2R)-N-cyclohexyl-2-[[2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]-(2-phenylethyl)amino]butanamide
CID 100604811

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-cycloheptyl-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide (CID 126029990) is N-cycloheptyl-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-cycloheptyl-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide is CSc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCC2)c2ccc(C)cc2)cc1.
What is the InChIKey of N-cycloheptyl-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide?
The InChIKey is VQSLSGVDYOLYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S2/c1-18-9-11-20(12-10-18)25(17-23(26)24-19-7-5-3-4-6-8-19)30(27,28)22-15-13-21(29-2)14-16-22/h9-16,19H,3-8,17H2,1-2H3,(H,24,26).
What are the key properties of N-cycloheptyl-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide?
N-cycloheptyl-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide has a molecular weight of 446.64 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 126029990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).