3-[cyclopentyl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide

C18H28N2O4S — CID 113137315

IUPAC3-[cyclopentyl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccccc1NC(=O)CCN(C1CCCC1)S(C)(=O)=O
InChIInChI=1S/C18H28N2O4S/c1-14(2)24-17-11-7-6-10-16(17)19-18(21)12-13-20(25(3,22)23)15-8-4-5-9-15/h6-7,10-11,14-15H,4-5,8-9,12-13H2,1-3H3,(H,19,21)
InChIKeyKGFXHKYGKUAQNU-UHFFFAOYSA-N
MW368.50 g/mol
LogP3.01
Rot. Bonds8

About 3-[cyclopentyl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide

3-[cyclopentyl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide (PubChem CID 113137315) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 3-[cyclopentyl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-[cyclopentyl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
PubChem CID113137315
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name3-[cyclopentyl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccccc1NC(=O)CCN(C1CCCC1)S(C)(=O)=O
InChIInChI=1S/C18H28N2O4S/c1-14(2)24-17-11-7-6-10-16(17)19-18(21)12-13-20(25(3,22)23)15-8-4-5-9-15/h6-7,10-11,14-15H,4-5,8-9,12-13H2,1-3H3,(H,19,21)
InChIKeyKGFXHKYGKUAQNU-UHFFFAOYSA-N
XLogP3.01
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[acetyl(cyclopropyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 113115448
3-[butan-2-yl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 113137130
2-[acetyl(cyclohexyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113159539
N-(2-cyanophenyl)-3-[cycloheptyl(methylsulfonyl)amino]propanamide
CID 113141082
2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide
CID 113153135
3-(4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 113141978
3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 109026791
N-cyclopentyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108942247
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide
CID 53286884
1-cyclohexyl-1-[(2R)-2-hydroxypropyl]-3-(2-propan-2-yloxyphenyl)urea
CID 97261269
3-[cyclopropyl(methylsulfonyl)amino]-N-phenylpropanamide
CID 113136332
2-[2-methylpropyl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113148565

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-[cyclopentyl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide (CID 113137315) is 3-[cyclopentyl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-[cyclopentyl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-[cyclopentyl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide is CC(C)Oc1ccccc1NC(=O)CCN(C1CCCC1)S(C)(=O)=O.
What is the InChIKey of 3-[cyclopentyl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide?
The InChIKey is KGFXHKYGKUAQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-14(2)24-17-11-7-6-10-16(17)19-18(21)12-13-20(25(3,22)23)15-8-4-5-9-15/h6-7,10-11,14-15H,4-5,8-9,12-13H2,1-3H3,(H,19,21).
What are the key properties of 3-[cyclopentyl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide?
3-[cyclopentyl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide has a molecular weight of 368.50 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 113137315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).