N-cyclopentyl-3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)propanamide

C19H30N2O3S — CID 113143249

IUPACN-cyclopentyl-3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)propanamide
SMILESCc1cccc(C(C)C)c1N(CCC(=O)NC1CCCC1)S(C)(=O)=O
InChIInChI=1S/C19H30N2O3S/c1-14(2)17-11-7-8-15(3)19(17)21(25(4,23)24)13-12-18(22)20-16-9-5-6-10-16/h7-8,11,14,16H,5-6,9-10,12-13H2,1-4H3,(H,20,22)
InChIKeyWXQVSQJRAHSGJB-UHFFFAOYSA-N
MW366.53 g/mol
LogP3.33
Rot. Bonds7

About N-cyclopentyl-3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)propanamide

N-cyclopentyl-3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)propanamide (PubChem CID 113143249) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-cyclopentyl-3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)propanamide
PubChem CID113143249
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC NameN-cyclopentyl-3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)propanamide
SMILESCc1cccc(C(C)C)c1N(CCC(=O)NC1CCCC1)S(C)(=O)=O
InChIInChI=1S/C19H30N2O3S/c1-14(2)17-11-7-8-15(3)19(17)21(25(4,23)24)13-12-18(22)20-16-9-5-6-10-16/h7-8,11,14,16H,5-6,9-10,12-13H2,1-4H3,(H,20,22)
InChIKeyWXQVSQJRAHSGJB-UHFFFAOYSA-N
XLogP3.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide
CID 113146226
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
1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]urea
CID 113069568
3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-phenylpropanamide
CID 113143277
N-cyclopropyl-2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]acetamide
CID 113156587
N-cyclopropyl-3-(2,3-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142557
3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113143288
N-cyclopentyl-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142233
N-(3-methylbutyl)-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide
CID 113146233
N-(3-cyanophenyl)-3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)propanamide
CID 113143286
N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]-2-phenylacetamide
CID 113069558

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)propanamide?
The IUPAC name of N-cyclopentyl-3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)propanamide (CID 113143249) is N-cyclopentyl-3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)propanamide.
What is the SMILES notation for N-cyclopentyl-3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)propanamide?
The canonical SMILES for N-cyclopentyl-3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)propanamide is Cc1cccc(C(C)C)c1N(CCC(=O)NC1CCCC1)S(C)(=O)=O.
What is the InChIKey of N-cyclopentyl-3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)propanamide?
The InChIKey is WXQVSQJRAHSGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-14(2)17-11-7-8-15(3)19(17)21(25(4,23)24)13-12-18(22)20-16-9-5-6-10-16/h7-8,11,14,16H,5-6,9-10,12-13H2,1-4H3,(H,20,22).
What are the key properties of N-cyclopentyl-3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)propanamide?
N-cyclopentyl-3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)propanamide has a molecular weight of 366.53 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)propanamide is sourced from PubChem (CID 113143249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).