2-chloro-5-(methanesulfonamido)-N-[1-(4-methoxyphenyl)propyl]benzamide

C18H21ClN2O4S — CID 43915949

IUPAC2-chloro-5-(methanesulfonamido)-N-[1-(4-methoxyphenyl)propyl]benzamide
SMILESCCC(NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl)c1ccc(OC)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-4-17(12-5-8-14(25-2)9-6-12)20-18(22)15-11-13(7-10-16(15)19)21-26(3,23)24/h5-11,17,21H,4H2,1-3H3,(H,20,22)
InChIKeyOUQCKKINZUHNPJ-UHFFFAOYSA-N
MW396.90 g/mol
LogP3.60
Rot. Bonds7

About 2-chloro-5-(methanesulfonamido)-N-[1-(4-methoxyphenyl)propyl]benzamide

2-chloro-5-(methanesulfonamido)-N-[1-(4-methoxyphenyl)propyl]benzamide (PubChem CID 43915949) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is 2-chloro-5-(methanesulfonamido)-N-[1-(4-methoxyphenyl)propyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-(methanesulfonamido)-N-[1-(4-methoxyphenyl)propyl]benzamide
PubChem CID43915949
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC Name2-chloro-5-(methanesulfonamido)-N-[1-(4-methoxyphenyl)propyl]benzamide
SMILESCCC(NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl)c1ccc(OC)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-4-17(12-5-8-14(25-2)9-6-12)20-18(22)15-11-13(7-10-16(15)19)21-26(3,23)24/h5-11,17,21H,4H2,1-3H3,(H,20,22)
InChIKeyOUQCKKINZUHNPJ-UHFFFAOYSA-N
XLogP3.60
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(methanesulfonamido)-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide
CID 38000460
2-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 92680132
2-chloro-5-(methanesulfonamido)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 93487152
2-chloro-4-(methanesulfonamido)-N-(1-phenylpropyl)benzamide
CID 43876402
2-chloro-4-(methanesulfonamido)-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
CID 132673292
2-chloro-5-(methanesulfonamido)-N-[(2R)-pentan-2-yl]benzamide
CID 30397362
2-chloro-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 100638516
2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 100638531
3,5-dichloro-4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 24547698
2-chloro-5-(methanesulfonamido)-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100568601
2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 30219828
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(methanesulfonamido)-N-[1-(4-methoxyphenyl)propyl]benzamide?
The IUPAC name of 2-chloro-5-(methanesulfonamido)-N-[1-(4-methoxyphenyl)propyl]benzamide (CID 43915949) is 2-chloro-5-(methanesulfonamido)-N-[1-(4-methoxyphenyl)propyl]benzamide.
What is the SMILES notation for 2-chloro-5-(methanesulfonamido)-N-[1-(4-methoxyphenyl)propyl]benzamide?
The canonical SMILES for 2-chloro-5-(methanesulfonamido)-N-[1-(4-methoxyphenyl)propyl]benzamide is CCC(NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl)c1ccc(OC)cc1.
What is the InChIKey of 2-chloro-5-(methanesulfonamido)-N-[1-(4-methoxyphenyl)propyl]benzamide?
The InChIKey is OUQCKKINZUHNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-4-17(12-5-8-14(25-2)9-6-12)20-18(22)15-11-13(7-10-16(15)19)21-26(3,23)24/h5-11,17,21H,4H2,1-3H3,(H,20,22).
What are the key properties of 2-chloro-5-(methanesulfonamido)-N-[1-(4-methoxyphenyl)propyl]benzamide?
2-chloro-5-(methanesulfonamido)-N-[1-(4-methoxyphenyl)propyl]benzamide has a molecular weight of 396.90 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(methanesulfonamido)-N-[1-(4-methoxyphenyl)propyl]benzamide is sourced from PubChem (CID 43915949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).