2-[N-(benzenesulfonyl)-3-methylanilino]-N-(3-cyclopentyloxypropyl)acetamide

C23H30N2O4S — CID 30174863

IUPAC2-[N-(benzenesulfonyl)-3-methylanilino]-N-(3-cyclopentyloxypropyl)acetamide
SMILESCc1cccc(N(CC(=O)NCCCOC2CCCC2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H30N2O4S/c1-19-9-7-10-20(17-19)25(30(27,28)22-13-3-2-4-14-22)18-23(26)24-15-8-16-29-21-11-5-6-12-21/h2-4,7,9-10,13-14,17,21H,5-6,8,11-12,15-16,18H2,1H3,(H,24,26)
InChIKeyDWWQXBOTSQPXDP-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.66
Rot. Bonds10

About 2-[N-(benzenesulfonyl)-3-methylanilino]-N-(3-cyclopentyloxypropyl)acetamide

2-[N-(benzenesulfonyl)-3-methylanilino]-N-(3-cyclopentyloxypropyl)acetamide (PubChem CID 30174863) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-methylanilino]-N-(3-cyclopentyloxypropyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-methylanilino]-N-(3-cyclopentyloxypropyl)acetamide
PubChem CID30174863
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Name2-[N-(benzenesulfonyl)-3-methylanilino]-N-(3-cyclopentyloxypropyl)acetamide
SMILESCc1cccc(N(CC(=O)NCCCOC2CCCC2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H30N2O4S/c1-19-9-7-10-20(17-19)25(30(27,28)22-13-3-2-4-14-22)18-23(26)24-15-8-16-29-21-11-5-6-12-21/h2-4,7,9-10,13-14,17,21H,5-6,8,11-12,15-16,18H2,1H3,(H,24,26)
InChIKeyDWWQXBOTSQPXDP-UHFFFAOYSA-N
XLogP3.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[N-(benzenesulfonyl)anilino]-N-(3-cyclopentyloxypropyl)acetamide
CID 30174135
N-(3-cyclopentyloxypropyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 30217888
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide
CID 30213850
N-(3-cyclopentyloxypropyl)-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 30215284
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(3-cyclohexyloxypropyl)acetamide
CID 30205047
N-(3-cyclopentyloxypropyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 30249072
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-(3-cyclopentyloxypropyl)acetamide
CID 30253559
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-cyclopentyloxypropyl)acetamide
CID 30207049
2-[N-(benzenesulfonyl)-3-methylanilino]-N-(2-methoxyethyl)acetamide
CID 30169183
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-cyclohexyloxypropyl)acetamide
CID 30207045
N-(3-cyclopentyloxypropyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 30227480
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-cyclopentyloxypropyl)acetamide
CID 30213587

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-methylanilino]-N-(3-cyclopentyloxypropyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-methylanilino]-N-(3-cyclopentyloxypropyl)acetamide (CID 30174863) is 2-[N-(benzenesulfonyl)-3-methylanilino]-N-(3-cyclopentyloxypropyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-methylanilino]-N-(3-cyclopentyloxypropyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-methylanilino]-N-(3-cyclopentyloxypropyl)acetamide is Cc1cccc(N(CC(=O)NCCCOC2CCCC2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-methylanilino]-N-(3-cyclopentyloxypropyl)acetamide?
The InChIKey is DWWQXBOTSQPXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-19-9-7-10-20(17-19)25(30(27,28)22-13-3-2-4-14-22)18-23(26)24-15-8-16-29-21-11-5-6-12-21/h2-4,7,9-10,13-14,17,21H,5-6,8,11-12,15-16,18H2,1H3,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-3-methylanilino]-N-(3-cyclopentyloxypropyl)acetamide?
2-[N-(benzenesulfonyl)-3-methylanilino]-N-(3-cyclopentyloxypropyl)acetamide has a molecular weight of 430.57 g/mol, XLogP of 3.66, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-methylanilino]-N-(3-cyclopentyloxypropyl)acetamide is sourced from PubChem (CID 30174863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).