N-[(4-chlorophenyl)methyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide

C18H21ClN2O4S — CID 132660625

IUPACN-[(4-chlorophenyl)methyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1cccc(N(C(C)C(=O)NCc2ccc(Cl)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H21ClN2O4S/c1-13(18(22)20-12-14-7-9-15(19)10-8-14)21(26(3,23)24)16-5-4-6-17(11-16)25-2/h4-11,13H,12H2,1-3H3,(H,20,22)
InChIKeyIRCQHDOAFLFMLQ-UHFFFAOYSA-N
MW396.90 g/mol
LogP2.82
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide

N-[(4-chlorophenyl)methyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide (PubChem CID 132660625) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide
PubChem CID132660625
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1cccc(N(C(C)C(=O)NCc2ccc(Cl)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H21ClN2O4S/c1-13(18(22)20-12-14-7-9-15(19)10-8-14)21(26(3,23)24)16-5-4-6-17(11-16)25-2/h4-11,13H,12H2,1-3H3,(H,20,22)
InChIKeyIRCQHDOAFLFMLQ-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 99130827
N-[(4-chlorophenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 3715471
2-(3-methoxy-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 133218876
2-(3-methoxy-N-methylsulfonylanilino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 133204189
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 132669261
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(3-methoxyphenyl)methyl]propanamide
CID 53288405
(2S)-2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 95118542
(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 95118543
2-(4-chloro-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 4214527
2-(4-methoxy-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 133218780
N-[(4-ethoxyphenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 132659326
(2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide
CID 700385

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide (CID 132660625) is N-[(4-chlorophenyl)methyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide is COc1cccc(N(C(C)C(=O)NCc2ccc(Cl)cc2)S(C)(=O)=O)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is IRCQHDOAFLFMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-13(18(22)20-12-14-7-9-15(19)10-8-14)21(26(3,23)24)16-5-4-6-17(11-16)25-2/h4-11,13H,12H2,1-3H3,(H,20,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide?
N-[(4-chlorophenyl)methyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 396.90 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 132660625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).