5-chloro-N-(2-methoxyethyl)-3-thiophen-2-yl-1H-indole-2-carboxamide

C16H15ClN2O2S — CID 174358730

IUPAC5-chloro-N-(2-methoxyethyl)-3-thiophen-2-yl-1H-indole-2-carboxamide
SMILESCOCCNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1cccs1
InChIInChI=1S/C16H15ClN2O2S/c1-21-7-6-18-16(20)15-14(13-3-2-8-22-13)11-9-10(17)4-5-12(11)19-15/h2-5,8-9,19H,6-7H2,1H3,(H,18,20)
InChIKeyRVDQFVSAFVLVHO-UHFFFAOYSA-N
MW334.83 g/mol
LogP3.93
Rot. Bonds5

About 5-chloro-N-(2-methoxyethyl)-3-thiophen-2-yl-1H-indole-2-carboxamide

5-chloro-N-(2-methoxyethyl)-3-thiophen-2-yl-1H-indole-2-carboxamide (PubChem CID 174358730) has the molecular formula C16H15ClN2O2S and a molecular weight of 334.83 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxyethyl)-3-thiophen-2-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-methoxyethyl)-3-thiophen-2-yl-1H-indole-2-carboxamide
PubChem CID174358730
Molecular FormulaC16H15ClN2O2S
Molecular Weight334.83 g/mol
Exact Mass334.05
IUPAC Name5-chloro-N-(2-methoxyethyl)-3-thiophen-2-yl-1H-indole-2-carboxamide
SMILESCOCCNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1cccs1
InChIInChI=1S/C16H15ClN2O2S/c1-21-7-6-18-16(20)15-14(13-3-2-8-22-13)11-9-10(17)4-5-12(11)19-15/h2-5,8-9,19H,6-7H2,1H3,(H,18,20)
InChIKeyRVDQFVSAFVLVHO-UHFFFAOYSA-N
XLogP3.93
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(4-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1H-indole-2-carboxamide
CID 46391875
1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea
CID 2158048
N-(2-methoxyethyl)-4-thiophen-2-ylthiophene-2-carboxamide
CID 71690068
dimethyl 3,4-dithiophen-2-yl-1H-pyrrole-2,5-dicarboxylate
CID 102258239
2-(5-chloro-1H-indol-3-yl)-N-(2-methoxyethyl)-2-oxoacetamide
CID 113208212
5-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenyl-1H-indole-2-carboxamide
CID 131932809
3,5-dichloro-N-[2-(methanesulfonamido)ethyl]-1H-indole-2-carboxamide
CID 166187794
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(2-phenoxyethyl)-1H-indole-2-carboxamide
CID 51353994
6-chloro-3-[(E)-3-phenylprop-2-enoyl]-4-thiophen-2-yl-1H-quinolin-2-one
CID 134253189
3,5-dichloro-N-(2-methoxy-2-phenylethyl)-1H-indole-2-carboxamide
CID 60543987
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
3,5-dichloro-N-(2-hydroxypropyl)-1H-indole-2-carboxamide
CID 110900787

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxyethyl)-3-thiophen-2-yl-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-methoxyethyl)-3-thiophen-2-yl-1H-indole-2-carboxamide (CID 174358730) is 5-chloro-N-(2-methoxyethyl)-3-thiophen-2-yl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-methoxyethyl)-3-thiophen-2-yl-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-methoxyethyl)-3-thiophen-2-yl-1H-indole-2-carboxamide is COCCNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1cccs1.
What is the InChIKey of 5-chloro-N-(2-methoxyethyl)-3-thiophen-2-yl-1H-indole-2-carboxamide?
The InChIKey is RVDQFVSAFVLVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2S/c1-21-7-6-18-16(20)15-14(13-3-2-8-22-13)11-9-10(17)4-5-12(11)19-15/h2-5,8-9,19H,6-7H2,1H3,(H,18,20).
What are the key properties of 5-chloro-N-(2-methoxyethyl)-3-thiophen-2-yl-1H-indole-2-carboxamide?
5-chloro-N-(2-methoxyethyl)-3-thiophen-2-yl-1H-indole-2-carboxamide has a molecular weight of 334.83 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxyethyl)-3-thiophen-2-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 174358730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).