3-(3-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)propanamide

C18H21ClN2O4S — CID 113143842

IUPAC3-(3-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)CCN(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O4S/c1-13-7-8-17(25-2)16(11-13)20-18(22)9-10-21(26(3,23)24)15-6-4-5-14(19)12-15/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)
InChIKeyDHLLYXAEFPRAOR-UHFFFAOYSA-N
MW396.90 g/mol
LogP3.45
Rot. Bonds7

About 3-(3-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)propanamide

3-(3-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)propanamide (PubChem CID 113143842) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is 3-(3-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)propanamide
PubChem CID113143842
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC Name3-(3-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)CCN(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O4S/c1-13-7-8-17(25-2)16(11-13)20-18(22)9-10-21(26(3,23)24)15-6-4-5-14(19)12-15/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)
InChIKeyDHLLYXAEFPRAOR-UHFFFAOYSA-N
XLogP3.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113143815
3-(3-chloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide
CID 113143839
3-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide
CID 113143812
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 2973626
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 2279014
N-(2-methoxy-5-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 1019072
2-(3-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9262978
N-(4-chlorophenyl)-3-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 113144991
3-(3-cyano-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide
CID 113146908
3-(3-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113141799
3-(3-methoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113144621
4-(3-chloro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)butanamide
CID 53285167

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)propanamide?
The IUPAC name of 3-(3-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)propanamide (CID 113143842) is 3-(3-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)propanamide.
What is the SMILES notation for 3-(3-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)propanamide?
The canonical SMILES for 3-(3-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)propanamide is COc1ccc(C)cc1NC(=O)CCN(c1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 3-(3-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)propanamide?
The InChIKey is DHLLYXAEFPRAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-13-7-8-17(25-2)16(11-13)20-18(22)9-10-21(26(3,23)24)15-6-4-5-14(19)12-15/h4-8,11-12H,9-10H2,1-3H3,(H,20,22).
What are the key properties of 3-(3-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)propanamide?
3-(3-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)propanamide has a molecular weight of 396.90 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)propanamide is sourced from PubChem (CID 113143842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).