N-[(4-carbamoylphenyl)methyl]-5-chloro-1-methyl-6-methylsulfanylindole-2-carboxamide

C19H18ClN3O2S — CID 177140137

IUPACN-[(4-carbamoylphenyl)methyl]-5-chloro-1-methyl-6-methylsulfanylindole-2-carboxamide
SMILESCSc1cc2c(cc1Cl)cc(C(=O)NCc1ccc(C(N)=O)cc1)n2C
InChIInChI=1S/C19H18ClN3O2S/c1-23-15-9-17(26-2)14(20)7-13(15)8-16(23)19(25)22-10-11-3-5-12(6-4-11)18(21)24/h3-9H,10H2,1-2H3,(H2,21,24)(H,22,25)
InChIKeyZZSPPUOJSQREES-UHFFFAOYSA-N
MW387.89 g/mol
LogP3.58
Rot. Bonds5

About N-[(4-carbamoylphenyl)methyl]-5-chloro-1-methyl-6-methylsulfanylindole-2-carboxamide

N-[(4-carbamoylphenyl)methyl]-5-chloro-1-methyl-6-methylsulfanylindole-2-carboxamide (PubChem CID 177140137) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is N-[(4-carbamoylphenyl)methyl]-5-chloro-1-methyl-6-methylsulfanylindole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-carbamoylphenyl)methyl]-5-chloro-1-methyl-6-methylsulfanylindole-2-carboxamide
PubChem CID177140137
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC NameN-[(4-carbamoylphenyl)methyl]-5-chloro-1-methyl-6-methylsulfanylindole-2-carboxamide
SMILESCSc1cc2c(cc1Cl)cc(C(=O)NCc1ccc(C(N)=O)cc1)n2C
InChIInChI=1S/C19H18ClN3O2S/c1-23-15-9-17(26-2)14(20)7-13(15)8-16(23)19(25)22-10-11-3-5-12(6-4-11)18(21)24/h3-9H,10H2,1-2H3,(H2,21,24)(H,22,25)
InChIKeyZZSPPUOJSQREES-UHFFFAOYSA-N
XLogP3.58
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-methylindole-2-carboxamide
CID 177140343
N-[(3-chloro-4-fluorophenyl)methyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
CID 53134500
N-[(6-carbamoyl-5-methyl-2-pyridinyl)methyl]-6-chloro-1-methylindole-2-carboxamide
CID 177140115
N-[(4-carbamoylphenyl)methyl]-6-chloro-1-benzofuran-2-carboxamide
CID 177140063
ethyl 2-[4-[[(4-chloro-1,6-dimethylindole-2-carbonyl)amino]methyl]phenyl]propanoate;methanol
CID 178002822
N-[(S)-(4-carbamoylphenyl)-cyclopropylmethyl]-6-chloro-1-methylindole-2-carboxamide
CID 177140237
N-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
CID 47007581
(4-carbamoylphenyl)methylcarbamic acid
CID 91190690
5-(diethylsulfamoyl)-1-methyl-N-[(4-methylphenyl)methyl]indole-2-carboxamide
CID 50802016
2-[(6-chloro-1-methylindole-2-carbonyl)amino]acetic acid
CID 110835856
4-N-[(3-fluoro-4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 34486663
6-chloro-1-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]indole-2-carboxamide
CID 177139910

Frequently Asked Questions

What is the IUPAC name of N-[(4-carbamoylphenyl)methyl]-5-chloro-1-methyl-6-methylsulfanylindole-2-carboxamide?
The IUPAC name of N-[(4-carbamoylphenyl)methyl]-5-chloro-1-methyl-6-methylsulfanylindole-2-carboxamide (CID 177140137) is N-[(4-carbamoylphenyl)methyl]-5-chloro-1-methyl-6-methylsulfanylindole-2-carboxamide.
What is the SMILES notation for N-[(4-carbamoylphenyl)methyl]-5-chloro-1-methyl-6-methylsulfanylindole-2-carboxamide?
The canonical SMILES for N-[(4-carbamoylphenyl)methyl]-5-chloro-1-methyl-6-methylsulfanylindole-2-carboxamide is CSc1cc2c(cc1Cl)cc(C(=O)NCc1ccc(C(N)=O)cc1)n2C.
What is the InChIKey of N-[(4-carbamoylphenyl)methyl]-5-chloro-1-methyl-6-methylsulfanylindole-2-carboxamide?
The InChIKey is ZZSPPUOJSQREES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-23-15-9-17(26-2)14(20)7-13(15)8-16(23)19(25)22-10-11-3-5-12(6-4-11)18(21)24/h3-9H,10H2,1-2H3,(H2,21,24)(H,22,25).
What are the key properties of N-[(4-carbamoylphenyl)methyl]-5-chloro-1-methyl-6-methylsulfanylindole-2-carboxamide?
N-[(4-carbamoylphenyl)methyl]-5-chloro-1-methyl-6-methylsulfanylindole-2-carboxamide has a molecular weight of 387.89 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-carbamoylphenyl)methyl]-5-chloro-1-methyl-6-methylsulfanylindole-2-carboxamide is sourced from PubChem (CID 177140137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).