(2S)-N-butyl-2-methylsulfonyl-N-[(1R)-1-phenylpropyl]propanamide

C17H27NO3S — CID 95627859

IUPAC(2S)-N-butyl-2-methylsulfonyl-N-[(1R)-1-phenylpropyl]propanamide
SMILESCCCCN(C(=O)[C@H](C)S(C)(=O)=O)[C@H](CC)c1ccccc1
InChIInChI=1S/C17H27NO3S/c1-5-7-13-18(17(19)14(3)22(4,20)21)16(6-2)15-11-9-8-10-12-15/h8-12,14,16H,5-7,13H2,1-4H3/t14-,16+/m0/s1
InChIKeyUHWOAJCTPJWXPR-GOEBONIOSA-N
MW325.47 g/mol
LogP3.20
Rot. Bonds8

About (2S)-N-butyl-2-methylsulfonyl-N-[(1R)-1-phenylpropyl]propanamide

(2S)-N-butyl-2-methylsulfonyl-N-[(1R)-1-phenylpropyl]propanamide (PubChem CID 95627859) has the molecular formula C17H27NO3S and a molecular weight of 325.47 g/mol. Its IUPAC name is (2S)-N-butyl-2-methylsulfonyl-N-[(1R)-1-phenylpropyl]propanamide.

Molecular Properties

Compound Name(2S)-N-butyl-2-methylsulfonyl-N-[(1R)-1-phenylpropyl]propanamide
PubChem CID95627859
Molecular FormulaC17H27NO3S
Molecular Weight325.47 g/mol
Exact Mass325.17
IUPAC Name(2S)-N-butyl-2-methylsulfonyl-N-[(1R)-1-phenylpropyl]propanamide
SMILESCCCCN(C(=O)[C@H](C)S(C)(=O)=O)[C@H](CC)c1ccccc1
InChIInChI=1S/C17H27NO3S/c1-5-7-13-18(17(19)14(3)22(4,20)21)16(6-2)15-11-9-8-10-12-15/h8-12,14,16H,5-7,13H2,1-4H3/t14-,16+/m0/s1
InChIKeyUHWOAJCTPJWXPR-GOEBONIOSA-N
XLogP3.20
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.47
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-butyl-N-(1-phenylpropyl)butanamide
CID 119323712
2-amino-N-butan-2-yl-N-butyl-2-phenylacetamide
CID 54870822
2-(4-aminophenyl)-N-butyl-N-(1-phenylpropyl)acetamide
CID 119783780
4-[N-(2-methylsulfonylpropanoyl)anilino]butanoic acid
CID 104517481
N-(3-aminopropyl)-2-methylsulfonyl-N-phenylpropanamide
CID 104517075
2-amino-N-butyl-N-(1-phenylethyl)pentanamide
CID 119331563
N-butyl-5-iodo-N-methylsulfonyl-2-phenylpentanamide
CID 14968947
N-(3-hydroxypropyl)-2-phenyl-N-propan-2-ylbutanamide
CID 54917384
methyl N-ethyl-N-[(1R)-1-phenylpropyl]carbamate
CID 143937695
N-methyl-N-pentyl-2-phenylpropanamide
CID 90809964
N-[3-(diethylamino)propyl]-2,2-diphenyl-N-propan-2-ylacetamide
CID 3026496
3-[1-phenylpropyl(propyl)amino]propanoic acid
CID 119135012

Frequently Asked Questions

What is the IUPAC name of (2S)-N-butyl-2-methylsulfonyl-N-[(1R)-1-phenylpropyl]propanamide?
The IUPAC name of (2S)-N-butyl-2-methylsulfonyl-N-[(1R)-1-phenylpropyl]propanamide (CID 95627859) is (2S)-N-butyl-2-methylsulfonyl-N-[(1R)-1-phenylpropyl]propanamide.
What is the SMILES notation for (2S)-N-butyl-2-methylsulfonyl-N-[(1R)-1-phenylpropyl]propanamide?
The canonical SMILES for (2S)-N-butyl-2-methylsulfonyl-N-[(1R)-1-phenylpropyl]propanamide is CCCCN(C(=O)[C@H](C)S(C)(=O)=O)[C@H](CC)c1ccccc1.
What is the InChIKey of (2S)-N-butyl-2-methylsulfonyl-N-[(1R)-1-phenylpropyl]propanamide?
The InChIKey is UHWOAJCTPJWXPR-GOEBONIOSA-N. The full InChI is InChI=1S/C17H27NO3S/c1-5-7-13-18(17(19)14(3)22(4,20)21)16(6-2)15-11-9-8-10-12-15/h8-12,14,16H,5-7,13H2,1-4H3/t14-,16+/m0/s1.
What are the key properties of (2S)-N-butyl-2-methylsulfonyl-N-[(1R)-1-phenylpropyl]propanamide?
(2S)-N-butyl-2-methylsulfonyl-N-[(1R)-1-phenylpropyl]propanamide has a molecular weight of 325.47 g/mol, XLogP of 3.20, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-butyl-2-methylsulfonyl-N-[(1R)-1-phenylpropyl]propanamide is sourced from PubChem (CID 95627859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).