1-ethyl-5-methylsulfanyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide

C20H29N3OS — CID 142244509

IUPAC1-ethyl-5-methylsulfanyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
SMILESCCn1c(C(=O)NC2CCN(C(C)C)CC2)cc2cc(SC)ccc21
InChIInChI=1S/C20H29N3OS/c1-5-23-18-7-6-17(25-4)12-15(18)13-19(23)20(24)21-16-8-10-22(11-9-16)14(2)3/h6-7,12-14,16H,5,8-11H2,1-4H3,(H,21,24)
InChIKeyYYMGWPCZSSGISC-UHFFFAOYSA-N
MW359.54 g/mol
LogP3.99
Rot. Bonds5

About 1-ethyl-5-methylsulfanyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide

1-ethyl-5-methylsulfanyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide (PubChem CID 142244509) has the molecular formula C20H29N3OS and a molecular weight of 359.54 g/mol. Its IUPAC name is 1-ethyl-5-methylsulfanyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-5-methylsulfanyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
PubChem CID142244509
Molecular FormulaC20H29N3OS
Molecular Weight359.54 g/mol
Exact Mass359.20
IUPAC Name1-ethyl-5-methylsulfanyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
SMILESCCn1c(C(=O)NC2CCN(C(C)C)CC2)cc2cc(SC)ccc21
InChIInChI=1S/C20H29N3OS/c1-5-23-18-7-6-17(25-4)12-15(18)13-19(23)20(24)21-16-8-10-22(11-9-16)14(2)3/h6-7,12-14,16H,5,8-11H2,1-4H3,(H,21,24)
InChIKeyYYMGWPCZSSGISC-UHFFFAOYSA-N
XLogP3.99
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methylsulfanyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The IUPAC name of 1-ethyl-5-methylsulfanyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide (CID 142244509) is 1-ethyl-5-methylsulfanyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide.
What is the SMILES notation for 1-ethyl-5-methylsulfanyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The canonical SMILES for 1-ethyl-5-methylsulfanyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide is CCn1c(C(=O)NC2CCN(C(C)C)CC2)cc2cc(SC)ccc21.
What is the InChIKey of 1-ethyl-5-methylsulfanyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The InChIKey is YYMGWPCZSSGISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3OS/c1-5-23-18-7-6-17(25-4)12-15(18)13-19(23)20(24)21-16-8-10-22(11-9-16)14(2)3/h6-7,12-14,16H,5,8-11H2,1-4H3,(H,21,24).
What are the key properties of 1-ethyl-5-methylsulfanyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
1-ethyl-5-methylsulfanyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide has a molecular weight of 359.54 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methylsulfanyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide is sourced from PubChem (CID 142244509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).