N-[3-chloro-4-(methanesulfonamido)phenyl]-2-(2-methylpropoxy)propanamide

C14H21ClN2O4S — CID 47030973

IUPACN-[3-chloro-4-(methanesulfonamido)phenyl]-2-(2-methylpropoxy)propanamide
SMILESCC(C)COC(C)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C14H21ClN2O4S/c1-9(2)8-21-10(3)14(18)16-11-5-6-13(12(15)7-11)17-22(4,19)20/h5-7,9-10,17H,8H2,1-4H3,(H,16,18)
InChIKeyKPYWVGOYVHMBJI-UHFFFAOYSA-N
MW348.85 g/mol
LogP2.71
Rot. Bonds7

About N-[3-chloro-4-(methanesulfonamido)phenyl]-2-(2-methylpropoxy)propanamide

N-[3-chloro-4-(methanesulfonamido)phenyl]-2-(2-methylpropoxy)propanamide (PubChem CID 47030973) has the molecular formula C14H21ClN2O4S and a molecular weight of 348.85 g/mol. Its IUPAC name is N-[3-chloro-4-(methanesulfonamido)phenyl]-2-(2-methylpropoxy)propanamide.

Molecular Properties

Compound NameN-[3-chloro-4-(methanesulfonamido)phenyl]-2-(2-methylpropoxy)propanamide
PubChem CID47030973
Molecular FormulaC14H21ClN2O4S
Molecular Weight348.85 g/mol
Exact Mass348.09
IUPAC NameN-[3-chloro-4-(methanesulfonamido)phenyl]-2-(2-methylpropoxy)propanamide
SMILESCC(C)COC(C)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C14H21ClN2O4S/c1-9(2)8-21-10(3)14(18)16-11-5-6-13(12(15)7-11)17-22(4,19)20/h5-7,9-10,17H,8H2,1-4H3,(H,16,18)
InChIKeyKPYWVGOYVHMBJI-UHFFFAOYSA-N
XLogP2.71
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]propanamide
CID 43711074
2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpentanamide
CID 43711077
2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]butanamide
CID 62855661
(2R)-2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3,3-dimethylbutanamide
CID 103928886
N-[2-chloro-4-(propan-2-ylamino)phenyl]methanesulfonamide
CID 43744799
4-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylbutanamide
CID 81076100
N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide
CID 5120140
N-[2-chloro-4-(3-methylbutan-2-ylamino)phenyl]methanesulfonamide
CID 43744787
(2R)-N-(4-acetamido-3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38938244
N-[3-chloro-4-(methanesulfonamido)phenyl]-2-cyclopentyloxy-2-phenylacetamide
CID 86882759
N-[2-chloro-4-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methanesulfonamide
CID 65337880
2-[2-[3-chloro-4-(methanesulfonamido)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569450

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(methanesulfonamido)phenyl]-2-(2-methylpropoxy)propanamide?
The IUPAC name of N-[3-chloro-4-(methanesulfonamido)phenyl]-2-(2-methylpropoxy)propanamide (CID 47030973) is N-[3-chloro-4-(methanesulfonamido)phenyl]-2-(2-methylpropoxy)propanamide.
What is the SMILES notation for N-[3-chloro-4-(methanesulfonamido)phenyl]-2-(2-methylpropoxy)propanamide?
The canonical SMILES for N-[3-chloro-4-(methanesulfonamido)phenyl]-2-(2-methylpropoxy)propanamide is CC(C)COC(C)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(methanesulfonamido)phenyl]-2-(2-methylpropoxy)propanamide?
The InChIKey is KPYWVGOYVHMBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O4S/c1-9(2)8-21-10(3)14(18)16-11-5-6-13(12(15)7-11)17-22(4,19)20/h5-7,9-10,17H,8H2,1-4H3,(H,16,18).
What are the key properties of N-[3-chloro-4-(methanesulfonamido)phenyl]-2-(2-methylpropoxy)propanamide?
N-[3-chloro-4-(methanesulfonamido)phenyl]-2-(2-methylpropoxy)propanamide has a molecular weight of 348.85 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(methanesulfonamido)phenyl]-2-(2-methylpropoxy)propanamide is sourced from PubChem (CID 47030973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).