2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide

C18H20Cl2N2O3S — CID 132664793

IUPAC2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H20Cl2N2O3S/c1-12-4-6-14(7-5-12)11-21-18(23)13(2)22(26(3,24)25)15-8-9-16(19)17(20)10-15/h4-10,13H,11H2,1-3H3,(H,21,23)
InChIKeyKSCFFWHHRRIKRU-UHFFFAOYSA-N
MW415.34 g/mol
LogP3.77
Rot. Bonds6

About 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide

2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 132664793) has the molecular formula C18H20Cl2N2O3S and a molecular weight of 415.34 g/mol. Its IUPAC name is 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide
PubChem CID132664793
Molecular FormulaC18H20Cl2N2O3S
Molecular Weight415.34 g/mol
Exact Mass414.06
IUPAC Name2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H20Cl2N2O3S/c1-12-4-6-14(7-5-12)11-21-18(23)13(2)22(26(3,24)25)15-8-9-16(19)17(20)10-15/h4-10,13H,11H2,1-3H3,(H,21,23)
InChIKeyKSCFFWHHRRIKRU-UHFFFAOYSA-N
XLogP3.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]butanamide
CID 132663369
(2S)-2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[[4-(diethylamino)phenyl]methyl]propanamide
CID 100714274
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 132664782
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 28636247
2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 2979813
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 132667602
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[2-(2,3-dimethylphenoxy)ethyl]propanamide
CID 133165986
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-naphthalen-1-yloxyethyl)propanamide
CID 133220575
N-[(4-chlorophenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 3715471
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide
CID 132672824
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 132669261
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 132664806

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide (CID 132664793) is 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)C(C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is KSCFFWHHRRIKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3S/c1-12-4-6-14(7-5-12)11-21-18(23)13(2)22(26(3,24)25)15-8-9-16(19)17(20)10-15/h4-10,13H,11H2,1-3H3,(H,21,23).
What are the key properties of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide?
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 415.34 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 132664793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).