2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-4-methylsulfonylbutanamide

C15H23ClN2O4S — CID 119956470

IUPAC2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-4-methylsulfonylbutanamide
SMILESCC(C)COc1ccc(NC(=O)C(N)CCS(C)(=O)=O)cc1Cl
InChIInChI=1S/C15H23ClN2O4S/c1-10(2)9-22-14-5-4-11(8-12(14)16)18-15(19)13(17)6-7-23(3,20)21/h4-5,8,10,13H,6-7,9,17H2,1-3H3,(H,18,19)
InChIKeyPZUVENRQLJHMEV-UHFFFAOYSA-N
MW362.88 g/mol
LogP2.08
Rot. Bonds8

About 2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-4-methylsulfonylbutanamide

2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-4-methylsulfonylbutanamide (PubChem CID 119956470) has the molecular formula C15H23ClN2O4S and a molecular weight of 362.88 g/mol. Its IUPAC name is 2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-4-methylsulfonylbutanamide
PubChem CID119956470
Molecular FormulaC15H23ClN2O4S
Molecular Weight362.88 g/mol
Exact Mass362.11
IUPAC Name2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-4-methylsulfonylbutanamide
SMILESCC(C)COc1ccc(NC(=O)C(N)CCS(C)(=O)=O)cc1Cl
InChIInChI=1S/C15H23ClN2O4S/c1-10(2)9-22-14-5-4-11(8-12(14)16)18-15(19)13(17)6-7-23(3,20)21/h4-5,8,10,13H,6-7,9,17H2,1-3H3,(H,18,19)
InChIKeyPZUVENRQLJHMEV-UHFFFAOYSA-N
XLogP2.08
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]propanamide
CID 119285034
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119715596
3-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119715601
(2S)-2-amino-N-(3-chloro-4-propoxyphenyl)hexanamide
CID 103831329
2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786697
2-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
CID 119298223
2-amino-N-(3,5-dichlorophenyl)-4-methylsulfonylbutanamide
CID 43094521
(2S)-2-amino-N-(3-chloro-4-propan-2-yloxyphenyl)butanamide
CID 79024527
N-(4-acetamidophenyl)-2-amino-4-methylsulfonylbutanamide
CID 43109034
2-amino-4-methylsulfonyl-N-(4-propan-2-yloxyphenyl)butanamide
CID 43123167
2-(4-acetamidophenyl)sulfanyl-N-[3-chloro-4-(2-methylpropoxy)phenyl]propanamide
CID 55852315
2-amino-N-(3-chloro-4-ethoxyphenyl)butanediamide
CID 54862584

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-4-methylsulfonylbutanamide (CID 119956470) is 2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-4-methylsulfonylbutanamide is CC(C)COc1ccc(NC(=O)C(N)CCS(C)(=O)=O)cc1Cl.
What is the InChIKey of 2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-4-methylsulfonylbutanamide?
The InChIKey is PZUVENRQLJHMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O4S/c1-10(2)9-22-14-5-4-11(8-12(14)16)18-15(19)13(17)6-7-23(3,20)21/h4-5,8,10,13H,6-7,9,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-4-methylsulfonylbutanamide?
2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-4-methylsulfonylbutanamide has a molecular weight of 362.88 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-4-methylsulfonylbutanamide is sourced from PubChem (CID 119956470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).