1-cyclopentyl-N-(4-methyl-2-phenylmethoxyphenyl)-N-propan-2-ylmethanesulfonamide

C23H31NO3S — CID 141001978

IUPAC1-cyclopentyl-N-(4-methyl-2-phenylmethoxyphenyl)-N-propan-2-ylmethanesulfonamide
SMILESCc1ccc(N(C(C)C)S(=O)(=O)CC2CCCC2)c(OCc2ccccc2)c1
InChIInChI=1S/C23H31NO3S/c1-18(2)24(28(25,26)17-21-11-7-8-12-21)22-14-13-19(3)15-23(22)27-16-20-9-5-4-6-10-20/h4-6,9-10,13-15,18,21H,7-8,11-12,16-17H2,1-3H3
InChIKeyRPRFOQOWRIIBQU-UHFFFAOYSA-N
MW401.57 g/mol
LogP5.31
Rot. Bonds8

About 1-cyclopentyl-N-(4-methyl-2-phenylmethoxyphenyl)-N-propan-2-ylmethanesulfonamide

1-cyclopentyl-N-(4-methyl-2-phenylmethoxyphenyl)-N-propan-2-ylmethanesulfonamide (PubChem CID 141001978) has the molecular formula C23H31NO3S and a molecular weight of 401.57 g/mol. Its IUPAC name is 1-cyclopentyl-N-(4-methyl-2-phenylmethoxyphenyl)-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-cyclopentyl-N-(4-methyl-2-phenylmethoxyphenyl)-N-propan-2-ylmethanesulfonamide
PubChem CID141001978
Molecular FormulaC23H31NO3S
Molecular Weight401.57 g/mol
Exact Mass401.20
IUPAC Name1-cyclopentyl-N-(4-methyl-2-phenylmethoxyphenyl)-N-propan-2-ylmethanesulfonamide
SMILESCc1ccc(N(C(C)C)S(=O)(=O)CC2CCCC2)c(OCc2ccccc2)c1
InChIInChI=1S/C23H31NO3S/c1-18(2)24(28(25,26)17-21-11-7-8-12-21)22-14-13-19(3)15-23(22)27-16-20-9-5-4-6-10-20/h4-6,9-10,13-15,18,21H,7-8,11-12,16-17H2,1-3H3
InChIKeyRPRFOQOWRIIBQU-UHFFFAOYSA-N
XLogP5.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.57
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[5-methyl-2-[methylsulfonyl(propan-2-yl)amino]phenoxy]methyl]benzoic acid
CID 22672084
4-[[2-[cyclopentylmethyl(propylsulfonyl)amino]-5-methylphenoxy]methyl]benzoic acid
CID 22671993
4-[[2-[heptylsulfonyl(propan-2-yl)amino]-5-methylphenoxy]methyl]benzoic acid
CID 22672093
3-[3-[[2-[benzenesulfonyl(propan-2-yl)amino]-5-methylphenoxy]methyl]phenyl]prop-2-enoic acid
CID 141001980
4-[[2-[cyclohexylsulfonyl(propan-2-yl)amino]-5-(trifluoromethyl)phenoxy]methyl]benzoic acid
CID 22672012
1-iodo-4-methyl-2-phenylmethoxybenzene
CID 134208884
2-methoxy-N-methyl-N-(4-methyl-2-phenylmethoxyphenyl)benzamide
CID 140987457
4-methoxy-N-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]-N-propan-2-ylbenzenesulfonamide
CID 141001977
N-(4,5-dimethyl-2-phenylmethoxyphenyl)-N-propan-2-yl-1,3-thiazole-2-sulfonamide
CID 141057792
1-(2-hydroxycyclohexyl)-3-(4-methyl-2-phenylmethoxyphenyl)urea
CID 56518924
1-(5-methyl-2-phenylmethoxyphenoxy)cyclopropane-1-carboxylic acid
CID 154940980
2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene
CID 14885530

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(4-methyl-2-phenylmethoxyphenyl)-N-propan-2-ylmethanesulfonamide?
The IUPAC name of 1-cyclopentyl-N-(4-methyl-2-phenylmethoxyphenyl)-N-propan-2-ylmethanesulfonamide (CID 141001978) is 1-cyclopentyl-N-(4-methyl-2-phenylmethoxyphenyl)-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1-cyclopentyl-N-(4-methyl-2-phenylmethoxyphenyl)-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1-cyclopentyl-N-(4-methyl-2-phenylmethoxyphenyl)-N-propan-2-ylmethanesulfonamide is Cc1ccc(N(C(C)C)S(=O)(=O)CC2CCCC2)c(OCc2ccccc2)c1.
What is the InChIKey of 1-cyclopentyl-N-(4-methyl-2-phenylmethoxyphenyl)-N-propan-2-ylmethanesulfonamide?
The InChIKey is RPRFOQOWRIIBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3S/c1-18(2)24(28(25,26)17-21-11-7-8-12-21)22-14-13-19(3)15-23(22)27-16-20-9-5-4-6-10-20/h4-6,9-10,13-15,18,21H,7-8,11-12,16-17H2,1-3H3.
What are the key properties of 1-cyclopentyl-N-(4-methyl-2-phenylmethoxyphenyl)-N-propan-2-ylmethanesulfonamide?
1-cyclopentyl-N-(4-methyl-2-phenylmethoxyphenyl)-N-propan-2-ylmethanesulfonamide has a molecular weight of 401.57 g/mol, XLogP of 5.31, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(4-methyl-2-phenylmethoxyphenyl)-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 141001978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).