N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide

C15H13ClN2OS — CID 17480468

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C15H13ClN2OS/c1-18(9-10-6-7-14(16)20-10)15(19)12-8-17-13-5-3-2-4-11(12)13/h2-8,17H,9H2,1H3
InChIKeyMYCGHLYYDXVFCU-UHFFFAOYSA-N
MW304.80 g/mol
LogP4.16
Rot. Bonds3

About N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide (PubChem CID 17480468) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide
PubChem CID17480468
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C15H13ClN2OS/c1-18(9-10-6-7-14(16)20-10)15(19)12-8-17-13-5-3-2-4-11(12)13/h2-8,17H,9H2,1H3
InChIKeyMYCGHLYYDXVFCU-UHFFFAOYSA-N
XLogP4.16
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(1H-indol-3-yl)propan-1-one
CID 8787115
N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 60646136
N-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroxy-N-methylbenzamide
CID 114344048
4-acetyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 9087892
N-(1H-imidazol-2-ylmethyl)-N-methyl-1H-indole-3-carboxamide
CID 63939451
N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-carboxamide
CID 60891221
N-[(4-acetamidophenyl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 131842101
N-[(3-bromophenyl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 61042579
N-[(5-chlorothiophen-2-yl)methyl]-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 25362719
N-[(5-chlorothiophen-2-yl)methyl]-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 86768754
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-indole-3-carboxamide
CID 64512779
N-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide
CID 61381226

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide (CID 17480468) is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide is CN(Cc1ccc(Cl)s1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide?
The InChIKey is MYCGHLYYDXVFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c1-18(9-10-6-7-14(16)20-10)15(19)12-8-17-13-5-3-2-4-11(12)13/h2-8,17H,9H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide has a molecular weight of 304.80 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 17480468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).