N-(3-chlorophenyl)-3-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]propanamide

C19H23ClN2O3S — CID 34213478

IUPACN-(3-chlorophenyl)-3-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]propanamide
SMILESC[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)CCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H23ClN2O3S/c1-14(15-7-9-18(10-8-15)26(3,24)25)22(2)12-11-19(23)21-17-6-4-5-16(20)13-17/h4-10,13-14H,11-12H2,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyOPTVQJUVXQHOFY-CQSZACIVSA-N
MW394.92 g/mol
LogP3.77
Rot. Bonds7

About N-(3-chlorophenyl)-3-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]propanamide

N-(3-chlorophenyl)-3-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]propanamide (PubChem CID 34213478) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]propanamide
PubChem CID34213478
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC NameN-(3-chlorophenyl)-3-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]propanamide
SMILESC[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)CCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H23ClN2O3S/c1-14(15-7-9-18(10-8-15)26(3,24)25)22(2)12-11-19(23)21-17-6-4-5-16(20)13-17/h4-10,13-14H,11-12H2,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyOPTVQJUVXQHOFY-CQSZACIVSA-N
XLogP3.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 62027581
3-[acetyl(butan-2-yl)amino]-N-(3-chlorophenyl)propanamide
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3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide
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3-[butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)propanamide
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3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]-methylamino]propanoic acid
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N-(3-chlorophenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide
CID 113144532
3-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide
CID 113143812
1-methyl-3-(3-methylphenyl)-1-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 24677665
N-(3-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 126213924
5-amino-N-(3-chlorophenyl)hexanamide
CID 82849187
N-(3-chlorophenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24638907
ethyl 3-[[3-(3-chloroanilino)-3-oxopropyl]-methylamino]propanoate
CID 62013389

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]propanamide?
The IUPAC name of N-(3-chlorophenyl)-3-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]propanamide (CID 34213478) is N-(3-chlorophenyl)-3-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]propanamide is C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)CCC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]propanamide?
The InChIKey is OPTVQJUVXQHOFY-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-14(15-7-9-18(10-8-15)26(3,24)25)22(2)12-11-19(23)21-17-6-4-5-16(20)13-17/h4-10,13-14H,11-12H2,1-3H3,(H,21,23)/t14-/m1/s1.
What are the key properties of N-(3-chlorophenyl)-3-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]propanamide?
N-(3-chlorophenyl)-3-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]propanamide has a molecular weight of 394.92 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]propanamide is sourced from PubChem (CID 34213478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).