N-butyl-N-methyl-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide

C18H30N2O3S — CID 113143083

IUPACN-butyl-N-methyl-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide
SMILESCCCCN(C)C(=O)CCN(c1ccc(C(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C18H30N2O3S/c1-6-7-13-19(4)18(21)12-14-20(24(5,22)23)17-10-8-16(9-11-17)15(2)3/h8-11,15H,6-7,12-14H2,1-5H3
InChIKeyNCRSKASZNSHJLR-UHFFFAOYSA-N
MW354.52 g/mol
LogP3.22
Rot. Bonds9

About N-butyl-N-methyl-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide

N-butyl-N-methyl-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide (PubChem CID 113143083) has the molecular formula C18H30N2O3S and a molecular weight of 354.52 g/mol. Its IUPAC name is N-butyl-N-methyl-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide.

Molecular Properties

Compound NameN-butyl-N-methyl-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide
PubChem CID113143083
Molecular FormulaC18H30N2O3S
Molecular Weight354.52 g/mol
Exact Mass354.20
IUPAC NameN-butyl-N-methyl-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide
SMILESCCCCN(C)C(=O)CCN(c1ccc(C(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C18H30N2O3S/c1-6-7-13-19(4)18(21)12-14-20(24(5,22)23)17-10-8-16(9-11-17)15(2)3/h8-11,15H,6-7,12-14H2,1-5H3
InChIKeyNCRSKASZNSHJLR-UHFFFAOYSA-N
XLogP3.22
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-3-(4-chloro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113143908
N-butyl-3-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113144275
N-butyl-3-(2,6-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 113142499
N-butyl-3-(2,3-dichloro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113146626
N-butyl-3-(2-fluoro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113143446
N-butyl-3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 113144330
ethyl 2-(N-methylsulfonyl-4-propan-2-ylanilino)acetate
CID 50893587
methyl 4-[[2-[butyl(methyl)amino]-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113156042
N-(3-methoxypropyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide
CID 113143055
3-(4-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide
CID 113141932
3-(N-methylsulfonylanilino)-N,N-dipropylpropanamide
CID 113141498
N-(2,4-dimethylphenyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide
CID 113143094

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide?
The IUPAC name of N-butyl-N-methyl-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide (CID 113143083) is N-butyl-N-methyl-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide.
What is the SMILES notation for N-butyl-N-methyl-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide?
The canonical SMILES for N-butyl-N-methyl-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide is CCCCN(C)C(=O)CCN(c1ccc(C(C)C)cc1)S(C)(=O)=O.
What is the InChIKey of N-butyl-N-methyl-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide?
The InChIKey is NCRSKASZNSHJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3S/c1-6-7-13-19(4)18(21)12-14-20(24(5,22)23)17-10-8-16(9-11-17)15(2)3/h8-11,15H,6-7,12-14H2,1-5H3.
What are the key properties of N-butyl-N-methyl-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide?
N-butyl-N-methyl-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide has a molecular weight of 354.52 g/mol, XLogP of 3.22, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide is sourced from PubChem (CID 113143083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).