1-[2-[(5-chlorothiophen-2-yl)amino]-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide

C23H27ClN4O2S — CID 20801159

IUPAC1-[2-[(5-chlorothiophen-2-yl)amino]-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc3ccccc3n2CC(=O)Nc2ccc(Cl)s2)CC1
InChIInChI=1S/C23H27ClN4O2S/c1-15(2)27-11-9-17(10-12-27)25-23(30)19-13-16-5-3-4-6-18(16)28(19)14-21(29)26-22-8-7-20(24)31-22/h3-8,13,15,17H,9-12,14H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyLBQLDTXJHMXFGR-UHFFFAOYSA-N
MW459.02 g/mol
LogP4.60
Rot. Bonds6

About 1-[2-[(5-chlorothiophen-2-yl)amino]-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide

1-[2-[(5-chlorothiophen-2-yl)amino]-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide (PubChem CID 20801159) has the molecular formula C23H27ClN4O2S and a molecular weight of 459.02 g/mol. Its IUPAC name is 1-[2-[(5-chlorothiophen-2-yl)amino]-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1-[2-[(5-chlorothiophen-2-yl)amino]-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
PubChem CID20801159
Molecular FormulaC23H27ClN4O2S
Molecular Weight459.02 g/mol
Exact Mass458.15
IUPAC Name1-[2-[(5-chlorothiophen-2-yl)amino]-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc3ccccc3n2CC(=O)Nc2ccc(Cl)s2)CC1
InChIInChI=1S/C23H27ClN4O2S/c1-15(2)27-11-9-17(10-12-27)25-23(30)19-13-16-5-3-4-6-18(16)28(19)14-21(29)26-22-8-7-20(24)31-22/h3-8,13,15,17H,9-12,14H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyLBQLDTXJHMXFGR-UHFFFAOYSA-N
XLogP4.60
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.02
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-chlorothiophen-2-yl)amino]-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The IUPAC name of 1-[2-[(5-chlorothiophen-2-yl)amino]-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide (CID 20801159) is 1-[2-[(5-chlorothiophen-2-yl)amino]-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide.
What is the SMILES notation for 1-[2-[(5-chlorothiophen-2-yl)amino]-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The canonical SMILES for 1-[2-[(5-chlorothiophen-2-yl)amino]-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide is CC(C)N1CCC(NC(=O)c2cc3ccccc3n2CC(=O)Nc2ccc(Cl)s2)CC1.
What is the InChIKey of 1-[2-[(5-chlorothiophen-2-yl)amino]-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The InChIKey is LBQLDTXJHMXFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2S/c1-15(2)27-11-9-17(10-12-27)25-23(30)19-13-16-5-3-4-6-18(16)28(19)14-21(29)26-22-8-7-20(24)31-22/h3-8,13,15,17H,9-12,14H2,1-2H3,(H,25,30)(H,26,29).
What are the key properties of 1-[2-[(5-chlorothiophen-2-yl)amino]-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
1-[2-[(5-chlorothiophen-2-yl)amino]-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide has a molecular weight of 459.02 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-chlorothiophen-2-yl)amino]-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide is sourced from PubChem (CID 20801159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).