N,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide

C20H22N2O3S — CID 134063137

IUPACN,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)N(C)C(C)c3ccc(S(C)(=O)=O)cc3)[nH]c2c1
InChIInChI=1S/C20H22N2O3S/c1-13-5-6-16-12-19(21-18(16)11-13)20(23)22(3)14(2)15-7-9-17(10-8-15)26(4,24)25/h5-12,14,21H,1-4H3
InChIKeyRHZIQCGQXHLSCZ-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.71
Rot. Bonds4

About N,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide

N,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide (PubChem CID 134063137) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide
PubChem CID134063137
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)N(C)C(C)c3ccc(S(C)(=O)=O)cc3)[nH]c2c1
InChIInChI=1S/C20H22N2O3S/c1-13-5-6-16-12-19(21-18(16)11-13)20(23)22(3)14(2)15-7-9-17(10-8-15)26(4,24)25/h5-12,14,21H,1-4H3
InChIKeyRHZIQCGQXHLSCZ-UHFFFAOYSA-N
XLogP3.71
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide
CID 55555964
2-[methyl-(6-methyl-1H-indole-2-carbonyl)amino]propanoic acid
CID 110835819
N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 42945819
4-bromo-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 55551487
4-chloro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 56811278
N,N-dimethyl-6-propan-2-yl-1H-indole-2-carboxamide
CID 47186797
N,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 95976164
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 75870184
N,2-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]furan-3-carboxamide
CID 56684324
N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbenzamide
CID 47023702
1-methyl-3-(3-methylphenyl)-1-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 24677665
3-bromo-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide
CID 55911974

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of N,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide (CID 134063137) is N,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide is Cc1ccc2cc(C(=O)N(C)C(C)c3ccc(S(C)(=O)=O)cc3)[nH]c2c1.
What is the InChIKey of N,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is RHZIQCGQXHLSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-13-5-6-16-12-19(21-18(16)11-13)20(23)22(3)14(2)15-7-9-17(10-8-15)26(4,24)25/h5-12,14,21H,1-4H3.
What are the key properties of N,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide?
N,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 134063137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).