3-[tert-butyl(methylsulfonyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide

C15H23ClN2O4S — CID 113140891

IUPAC3-[tert-butyl(methylsulfonyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCN(C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C15H23ClN2O4S/c1-15(2,3)18(23(5,20)21)9-8-14(19)17-12-10-11(16)6-7-13(12)22-4/h6-7,10H,8-9H2,1-5H3,(H,17,19)
InChIKeyXYUIXIWVSBGEMW-UHFFFAOYSA-N
MW362.88 g/mol
LogP2.74
Rot. Bonds6

About 3-[tert-butyl(methylsulfonyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide

3-[tert-butyl(methylsulfonyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide (PubChem CID 113140891) has the molecular formula C15H23ClN2O4S and a molecular weight of 362.88 g/mol. Its IUPAC name is 3-[tert-butyl(methylsulfonyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[tert-butyl(methylsulfonyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide
PubChem CID113140891
Molecular FormulaC15H23ClN2O4S
Molecular Weight362.88 g/mol
Exact Mass362.11
IUPAC Name3-[tert-butyl(methylsulfonyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCN(C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C15H23ClN2O4S/c1-15(2,3)18(23(5,20)21)9-8-14(19)17-12-10-11(16)6-7-13(12)22-4/h6-7,10H,8-9H2,1-5H3,(H,17,19)
InChIKeyXYUIXIWVSBGEMW-UHFFFAOYSA-N
XLogP2.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 54928228
N-(5-chloro-2-methoxyphenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide
CID 111488552
N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 1107868
N-(5-chloro-2-methoxyphenyl)-2-[methylsulfonyl(pentyl)amino]acetamide
CID 113153482
N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide
CID 129040736
N'-(5-chloro-2-methoxyphenyl)butanediamide
CID 94271903
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
2-[tert-butyl(methylsulfonyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 113153011
N-(5-chloro-2-methoxyphenyl)-3-(2-chlorophenyl)sulfonylpropanamide
CID 8763575
3-[acetyl(2-methylpropyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113116035
N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 51342871

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(methylsulfonyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide?
The IUPAC name of 3-[tert-butyl(methylsulfonyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide (CID 113140891) is 3-[tert-butyl(methylsulfonyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[tert-butyl(methylsulfonyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide?
The canonical SMILES for 3-[tert-butyl(methylsulfonyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide is COc1ccc(Cl)cc1NC(=O)CCN(C(C)(C)C)S(C)(=O)=O.
What is the InChIKey of 3-[tert-butyl(methylsulfonyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide?
The InChIKey is XYUIXIWVSBGEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O4S/c1-15(2,3)18(23(5,20)21)9-8-14(19)17-12-10-11(16)6-7-13(12)22-4/h6-7,10H,8-9H2,1-5H3,(H,17,19).
What are the key properties of 3-[tert-butyl(methylsulfonyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide?
3-[tert-butyl(methylsulfonyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide has a molecular weight of 362.88 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(methylsulfonyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide is sourced from PubChem (CID 113140891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).