3-(3-chloro-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide

C18H21ClN2O3S — CID 113143785

IUPAC3-(3-chloro-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C18H21ClN2O3S/c1-14(15-7-4-3-5-8-15)20-18(22)11-12-21(25(2,23)24)17-10-6-9-16(19)13-17/h3-10,13-14H,11-12H2,1-2H3,(H,20,22)
InChIKeyWOFXKJGAIKLFGL-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.37
Rot. Bonds7

About 3-(3-chloro-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide

3-(3-chloro-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide (PubChem CID 113143785) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 3-(3-chloro-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide
PubChem CID113143785
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name3-(3-chloro-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C18H21ClN2O3S/c1-14(15-7-4-3-5-8-15)20-18(22)11-12-21(25(2,23)24)17-10-6-9-16(19)13-17/h3-10,13-14H,11-12H2,1-2H3,(H,20,22)
InChIKeyWOFXKJGAIKLFGL-UHFFFAOYSA-N
XLogP3.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide
CID 113141895
3-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide
CID 113143812
2-(3-chloro-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43895448
4-(3-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylethyl]butanamide
CID 9172594
4-(3-chloro-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 133190834
2-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 126125465
4-(3-chloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide
CID 53285441
2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 40633950
2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]acetamide
CID 32755968
4-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylethyl]butanamide
CID 9172688
3-(3-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113143815
4-(3-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide
CID 99131737

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-(3-chloro-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide (CID 113143785) is 3-(3-chloro-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-(3-chloro-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-(3-chloro-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide is CC(NC(=O)CCN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of 3-(3-chloro-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide?
The InChIKey is WOFXKJGAIKLFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-14(15-7-4-3-5-8-15)20-18(22)11-12-21(25(2,23)24)17-10-6-9-16(19)13-17/h3-10,13-14H,11-12H2,1-2H3,(H,20,22).
What are the key properties of 3-(3-chloro-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide?
3-(3-chloro-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide has a molecular weight of 380.90 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 113143785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).