N-cyclopentyl-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide

C21H34N2O3S — CID 113146226

IUPACN-cyclopentyl-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide
SMILESCC(C)c1cccc(C(C)C)c1N(CCC(=O)NC1CCCC1)S(C)(=O)=O
InChIInChI=1S/C21H34N2O3S/c1-15(2)18-11-8-12-19(16(3)4)21(18)23(27(5,25)26)14-13-20(24)22-17-9-6-7-10-17/h8,11-12,15-17H,6-7,9-10,13-14H2,1-5H3,(H,22,24)
InChIKeyPPHDFVKNEUUXAH-UHFFFAOYSA-N
MW394.58 g/mol
LogP4.15
Rot. Bonds8

About N-cyclopentyl-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide

N-cyclopentyl-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide (PubChem CID 113146226) has the molecular formula C21H34N2O3S and a molecular weight of 394.58 g/mol. Its IUPAC name is N-cyclopentyl-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide
PubChem CID113146226
Molecular FormulaC21H34N2O3S
Molecular Weight394.58 g/mol
Exact Mass394.23
IUPAC NameN-cyclopentyl-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide
SMILESCC(C)c1cccc(C(C)C)c1N(CCC(=O)NC1CCCC1)S(C)(=O)=O
InChIInChI=1S/C21H34N2O3S/c1-15(2)18-11-8-12-19(16(3)4)21(18)23(27(5,25)26)14-13-20(24)22-17-9-6-7-10-17/h8,11-12,15-17H,6-7,9-10,13-14H2,1-5H3,(H,22,24)
InChIKeyPPHDFVKNEUUXAH-UHFFFAOYSA-N
XLogP4.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.58
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)propanamide
CID 113143249
N-cyclopropyl-2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]acetamide
CID 113156587
N-cyclohexyl-3-(2-ethyl-6-methyl-N-methylsulfonylanilino)propanamide
CID 113142895
3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-cycloheptylpropanamide
CID 113126298
N-(3-methylbutyl)-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide
CID 113146233
3-(4-bromo-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113144427
N-cyclopentyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide
CID 113146243
1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]urea
CID 113069568
3-(3-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113146821
N-cyclopentyl-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142233
methyl 3-[[3-(cyclohexylamino)-3-oxopropyl]-methylsulfonylamino]benzoate
CID 113145595
3-(4-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113146938

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide?
The IUPAC name of N-cyclopentyl-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide (CID 113146226) is N-cyclopentyl-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide?
The canonical SMILES for N-cyclopentyl-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide is CC(C)c1cccc(C(C)C)c1N(CCC(=O)NC1CCCC1)S(C)(=O)=O.
What is the InChIKey of N-cyclopentyl-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide?
The InChIKey is PPHDFVKNEUUXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3S/c1-15(2)18-11-8-12-19(16(3)4)21(18)23(27(5,25)26)14-13-20(24)22-17-9-6-7-10-17/h8,11-12,15-17H,6-7,9-10,13-14H2,1-5H3,(H,22,24).
What are the key properties of N-cyclopentyl-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide?
N-cyclopentyl-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide has a molecular weight of 394.58 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide is sourced from PubChem (CID 113146226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).