3-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]-1H-indole-2-carboxamide

C19H19ClN2OS — CID 55961690

IUPAC3-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]-1H-indole-2-carboxamide
SMILESO=C(NC(c1cccs1)C1CCCC1)c1[nH]c2ccccc2c1Cl
InChIInChI=1S/C19H19ClN2OS/c20-16-13-8-3-4-9-14(13)21-18(16)19(23)22-17(12-6-1-2-7-12)15-10-5-11-24-15/h3-5,8-12,17,21H,1-2,6-7H2,(H,22,23)
InChIKeyCICGCHPJAWCWII-UHFFFAOYSA-N
MW358.89 g/mol
LogP5.54
Rot. Bonds4

About 3-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]-1H-indole-2-carboxamide

3-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 55961690) has the molecular formula C19H19ClN2OS and a molecular weight of 358.89 g/mol. Its IUPAC name is 3-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]-1H-indole-2-carboxamide
PubChem CID55961690
Molecular FormulaC19H19ClN2OS
Molecular Weight358.89 g/mol
Exact Mass358.09
IUPAC Name3-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]-1H-indole-2-carboxamide
SMILESO=C(NC(c1cccs1)C1CCCC1)c1[nH]c2ccccc2c1Cl
InChIInChI=1S/C19H19ClN2OS/c20-16-13-8-3-4-9-14(13)21-18(16)19(23)22-17(12-6-1-2-7-12)15-10-5-11-24-15/h3-5,8-12,17,21H,1-2,6-7H2,(H,22,23)
InChIKeyCICGCHPJAWCWII-UHFFFAOYSA-N
XLogP5.54
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.89
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 3-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]-1H-indole-2-carboxamide (CID 55961690) is 3-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]-1H-indole-2-carboxamide is O=C(NC(c1cccs1)C1CCCC1)c1[nH]c2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is CICGCHPJAWCWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2OS/c20-16-13-8-3-4-9-14(13)21-18(16)19(23)22-17(12-6-1-2-7-12)15-10-5-11-24-15/h3-5,8-12,17,21H,1-2,6-7H2,(H,22,23).
What are the key properties of 3-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]-1H-indole-2-carboxamide?
3-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 358.89 g/mol, XLogP of 5.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 55961690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).