N-benzyl-3-[2-methylpropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide

C18H30N2O3S — CID 113136884

IUPACN-benzyl-3-[2-methylpropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)CN(CCC(=O)N(Cc1ccccc1)C(C)C)S(C)(=O)=O
InChIInChI=1S/C18H30N2O3S/c1-15(2)13-19(24(5,22)23)12-11-18(21)20(16(3)4)14-17-9-7-6-8-10-17/h6-10,15-16H,11-14H2,1-5H3
InChIKeySCBFBEHZHYJYTL-UHFFFAOYSA-N
MW354.52 g/mol
LogP2.73
Rot. Bonds9

About N-benzyl-3-[2-methylpropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide

N-benzyl-3-[2-methylpropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide (PubChem CID 113136884) has the molecular formula C18H30N2O3S and a molecular weight of 354.52 g/mol. Its IUPAC name is N-benzyl-3-[2-methylpropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-[2-methylpropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide
PubChem CID113136884
Molecular FormulaC18H30N2O3S
Molecular Weight354.52 g/mol
Exact Mass354.20
IUPAC NameN-benzyl-3-[2-methylpropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)CN(CCC(=O)N(Cc1ccccc1)C(C)C)S(C)(=O)=O
InChIInChI=1S/C18H30N2O3S/c1-15(2)13-19(24(5,22)23)12-11-18(21)20(16(3)4)14-17-9-7-6-8-10-17/h6-10,15-16H,11-14H2,1-5H3
InChIKeySCBFBEHZHYJYTL-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-[methylsulfonyl(propyl)amino]-N-propan-2-ylpropanamide
CID 113135924
N-benzyl-4-methyl-N-propan-2-ylpentanamide
CID 86978961
N-benzyl-N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148459
3-[benzyl(methylsulfonyl)amino]-N,N-diethylpropanamide
CID 113138656
3-[acetyl(propyl)amino]-N-benzyl-N-propan-2-ylpropanamide
CID 113114991
3-[benzyl(methylsulfonyl)amino]-N-methyl-N-phenylpropanamide
CID 113138673
3-(N-acetyl-2-fluoroanilino)-N-benzyl-N-propan-2-ylpropanamide
CID 113126703
N-benzyl-3-(ethylamino)-N-propan-2-ylpropanamide
CID 62833900
N-benzyl-3-(3-cyano-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 113146866
3-[acetyl(butyl)amino]-N-benzyl-N-propan-2-ylpropanamide
CID 113115788
2-[benzyl-[2-[benzyl(methylsulfonyl)amino]acetyl]amino]-N-(3-methylbutyl)-3-phenylpropanamide
CID 133213770
N-benzyl-2-(2-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
CID 113154114

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-methylpropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of N-benzyl-3-[2-methylpropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide (CID 113136884) is N-benzyl-3-[2-methylpropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for N-benzyl-3-[2-methylpropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for N-benzyl-3-[2-methylpropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide is CC(C)CN(CCC(=O)N(Cc1ccccc1)C(C)C)S(C)(=O)=O.
What is the InChIKey of N-benzyl-3-[2-methylpropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide?
The InChIKey is SCBFBEHZHYJYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3S/c1-15(2)13-19(24(5,22)23)12-11-18(21)20(16(3)4)14-17-9-7-6-8-10-17/h6-10,15-16H,11-14H2,1-5H3.
What are the key properties of N-benzyl-3-[2-methylpropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide?
N-benzyl-3-[2-methylpropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide has a molecular weight of 354.52 g/mol, XLogP of 2.73, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-methylpropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 113136884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).