N-cyclopentyl-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide

C16H24N2O5S — CID 1095298

IUPACN-cyclopentyl-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)NC2CCCC2)S(C)(=O)=O)c(OC)c1
InChIInChI=1S/C16H24N2O5S/c1-22-13-8-9-14(15(10-13)23-2)18(24(3,20)21)11-16(19)17-12-6-4-5-7-12/h8-10,12H,4-7,11H2,1-3H3,(H,17,19)
InChIKeySDVNXCPHTHMLEL-UHFFFAOYSA-N
MW356.44 g/mol
LogP1.53
Rot. Bonds7

About N-cyclopentyl-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide

N-cyclopentyl-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide (PubChem CID 1095298) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is N-cyclopentyl-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
PubChem CID1095298
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC NameN-cyclopentyl-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)NC2CCCC2)S(C)(=O)=O)c(OC)c1
InChIInChI=1S/C16H24N2O5S/c1-22-13-8-9-14(15(10-13)23-2)18(24(3,20)21)11-16(19)17-12-6-4-5-7-12/h8-10,12H,4-7,11H2,1-3H3,(H,17,19)
InChIKeySDVNXCPHTHMLEL-UHFFFAOYSA-N
XLogP1.53
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-cyclohexylacetamide
CID 1100043
N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 113155209
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cycloheptylacetamide
CID 2177494
N-cycloheptyl-3-(2,5-dimethoxy-N-methylsulfonylanilino)propanamide
CID 113145111
(2R)-N-cyclopentyl-2-[[2-(2,4-dimethoxy-N-methylsulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 125056165
N-cyclopentyl-2-[[2-(2,4-dimethoxy-N-methylsulfonylanilino)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
CID 132626450
(2R)-N-cyclohexyl-2-[[2-(2,4-dimethoxy-N-methylsulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 125058550
N-cyclopentyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 846470
N-cycloheptyl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 1322609
N-cyclopentyl-2-(2,4-dimethoxyphenyl)acetamide
CID 17474203
N-cyclohexyl-2-[[2-(2,4-dimethoxy-N-methylsulfonylanilino)acetyl]-[(3-methoxyphenyl)methyl]amino]butanamide
CID 132631054
N-cyclopentyl-2-[[2-(2,4-dimethoxy-N-methylsulfonylanilino)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132623874

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-cyclopentyl-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide (CID 1095298) is N-cyclopentyl-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-cyclopentyl-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide is COc1ccc(N(CC(=O)NC2CCCC2)S(C)(=O)=O)c(OC)c1.
What is the InChIKey of N-cyclopentyl-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is SDVNXCPHTHMLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-22-13-8-9-14(15(10-13)23-2)18(24(3,20)21)11-16(19)17-12-6-4-5-7-12/h8-10,12H,4-7,11H2,1-3H3,(H,17,19).
What are the key properties of N-cyclopentyl-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide?
N-cyclopentyl-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 356.44 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1095298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).