N-[[4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide

C21H19ClN2O3S — CID 55755853

IUPACN-[[4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccc(CNC(=O)c2cccs2)cc1
InChIInChI=1S/C21H19ClN2O3S/c1-13-10-17(18(27-2)11-16(13)22)24-20(25)15-7-5-14(6-8-15)12-23-21(26)19-4-3-9-28-19/h3-11H,12H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyXCUIHAGALBRINR-UHFFFAOYSA-N
MW414.91 g/mol
LogP4.90
Rot. Bonds6

About N-[[4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide

N-[[4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide (PubChem CID 55755853) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is N-[[4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
PubChem CID55755853
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC NameN-[[4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccc(CNC(=O)c2cccs2)cc1
InChIInChI=1S/C21H19ClN2O3S/c1-13-10-17(18(27-2)11-16(13)22)24-20(25)15-7-5-14(6-8-15)12-23-21(26)19-4-3-9-28-19/h3-11H,12H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyXCUIHAGALBRINR-UHFFFAOYSA-N
XLogP4.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 731690
N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46484966
N-[4-(4-chloro-2-methoxy-5-methylanilino)-4-oxobutyl]thiophene-2-carboxamide
CID 30951780
N-[[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753151
N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide
CID 1297130
N-(4-benzamido-2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 4304532
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 4783224
N-[[4-[[2-methyl-5-(phenylcarbamoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55766108
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
CID 9083792
4-N-(4-chloro-2-methoxy-5-methylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045847
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide
CID 108946828
N-[[4-[2-[(2-chlorobenzoyl)amino]ethylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55842432

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide (CID 55755853) is N-[[4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1ccc(CNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[[4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is XCUIHAGALBRINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-13-10-17(18(27-2)11-16(13)22)24-20(25)15-7-5-14(6-8-15)12-23-21(26)19-4-3-9-28-19/h3-11H,12H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[[4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
N-[[4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 414.91 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 55755853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).