2-methylsulfonyl-N-[2-[1-(propylamino)ethyl]phenyl]propanamide

C15H24N2O3S — CID 104517879

IUPAC2-methylsulfonyl-N-[2-[1-(propylamino)ethyl]phenyl]propanamide
SMILESCCCNC(C)c1ccccc1NC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-5-10-16-11(2)13-8-6-7-9-14(13)17-15(18)12(3)21(4,19)20/h6-9,11-12,16H,5,10H2,1-4H3,(H,17,18)
InChIKeySNLDSEFYXYUJBX-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.12
Rot. Bonds7

About 2-methylsulfonyl-N-[2-[1-(propylamino)ethyl]phenyl]propanamide

2-methylsulfonyl-N-[2-[1-(propylamino)ethyl]phenyl]propanamide (PubChem CID 104517879) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-methylsulfonyl-N-[2-[1-(propylamino)ethyl]phenyl]propanamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-[2-[1-(propylamino)ethyl]phenyl]propanamide
PubChem CID104517879
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-methylsulfonyl-N-[2-[1-(propylamino)ethyl]phenyl]propanamide
SMILESCCCNC(C)c1ccccc1NC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-5-10-16-11(2)13-8-6-7-9-14(13)17-15(18)12(3)21(4,19)20/h6-9,11-12,16H,5,10H2,1-4H3,(H,17,18)
InChIKeySNLDSEFYXYUJBX-UHFFFAOYSA-N
XLogP2.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[2-[1-(propylamino)ethyl]phenyl]butanamide
CID 43508040
2-methylsulfonyl-N-[2-(propylamino)phenyl]propanamide
CID 102562893
1,1-dimethyl-3-[2-[1-(propylamino)ethyl]phenyl]urea
CID 79154849
2-cyclopropyl-N-[2-[1-(propylamino)ethyl]phenyl]acetamide
CID 55031756
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylsulfonylpropanamide
CID 104519551
2-methyl-N-[2-[1-(methylamino)ethyl]phenyl]butanamide
CID 43507938
N-[2-[1-(propylamino)ethyl]phenyl]oxane-3-carboxamide
CID 63010645
(2R)-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]-2-methylbutanamide
CID 94210718
N-[2-[1-(propylamino)ethyl]phenyl]-1H-pyrazole-4-sulfonamide
CID 60917157
3-[2-[1-(ethylamino)ethyl]phenyl]-1,1-dimethylurea
CID 79154848
N-(2-propan-2-ylphenyl)-2-(propylamino)acetamide
CID 54818713
(2S)-N-(2,5-dimethylphenyl)-2-methylsulfonylpropanamide
CID 94024925

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-[2-[1-(propylamino)ethyl]phenyl]propanamide?
The IUPAC name of 2-methylsulfonyl-N-[2-[1-(propylamino)ethyl]phenyl]propanamide (CID 104517879) is 2-methylsulfonyl-N-[2-[1-(propylamino)ethyl]phenyl]propanamide.
What is the SMILES notation for 2-methylsulfonyl-N-[2-[1-(propylamino)ethyl]phenyl]propanamide?
The canonical SMILES for 2-methylsulfonyl-N-[2-[1-(propylamino)ethyl]phenyl]propanamide is CCCNC(C)c1ccccc1NC(=O)C(C)S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-N-[2-[1-(propylamino)ethyl]phenyl]propanamide?
The InChIKey is SNLDSEFYXYUJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-10-16-11(2)13-8-6-7-9-14(13)17-15(18)12(3)21(4,19)20/h6-9,11-12,16H,5,10H2,1-4H3,(H,17,18).
What are the key properties of 2-methylsulfonyl-N-[2-[1-(propylamino)ethyl]phenyl]propanamide?
2-methylsulfonyl-N-[2-[1-(propylamino)ethyl]phenyl]propanamide has a molecular weight of 312.44 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-[2-[1-(propylamino)ethyl]phenyl]propanamide is sourced from PubChem (CID 104517879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).