N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide

C21H19ClN2O2S — CID 35700243

IUPACN-[2-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccccc1N(C)C(=O)c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN2O2S/c1-14(15-9-11-16(22)12-10-15)23-20(25)17-6-3-4-7-18(17)24(2)21(26)19-8-5-13-27-19/h3-14H,1-2H3,(H,23,25)/t14-/m1/s1
InChIKeyCMJNNCLUDDCGGG-CQSZACIVSA-N
MW398.92 g/mol
LogP5.17
Rot. Bonds5

About N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide

N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide (PubChem CID 35700243) has the molecular formula C21H19ClN2O2S and a molecular weight of 398.92 g/mol. Its IUPAC name is N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide
PubChem CID35700243
Molecular FormulaC21H19ClN2O2S
Molecular Weight398.92 g/mol
Exact Mass398.09
IUPAC NameN-[2-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccccc1N(C)C(=O)c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN2O2S/c1-14(15-9-11-16(22)12-10-15)23-20(25)17-6-3-4-7-18(17)24(2)21(26)19-8-5-13-27-19/h3-14H,1-2H3,(H,23,25)/t14-/m1/s1
InChIKeyCMJNNCLUDDCGGG-CQSZACIVSA-N
XLogP5.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.92
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid
CID 43399735
N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-N-methylthiophene-2-carboxamide
CID 47031153
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
N-methyl-N-[2-(3-phenylsulfanylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 38769819
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide
CID 2242817
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide
CID 2242814
N-[(1S)-1-(3-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 26908057
N-[1-(4-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide
CID 18267936
N-[1-(4-chlorophenyl)ethyl]-4,7-dioxo-7-thiophen-2-ylheptanamide
CID 42956084
N-[(1S)-1-(4-chlorophenyl)ethyl]-4,7-dioxo-7-thiophen-2-ylheptanamide
CID 39920108
N-[2-[[2-(dimethylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide
CID 24684951

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide (CID 35700243) is N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide is C[C@@H](NC(=O)c1ccccc1N(C)C(=O)c1cccs1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide?
The InChIKey is CMJNNCLUDDCGGG-CQSZACIVSA-N. The full InChI is InChI=1S/C21H19ClN2O2S/c1-14(15-9-11-16(22)12-10-15)23-20(25)17-6-3-4-7-18(17)24(2)21(26)19-8-5-13-27-19/h3-14H,1-2H3,(H,23,25)/t14-/m1/s1.
What are the key properties of N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide?
N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide has a molecular weight of 398.92 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 35700243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).