5-[1-(5-methoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide

C20H21N3O3S — CID 45244350

IUPAC5-[1-(5-methoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)N1CCCC1c1ccc(C(N)=O)s1)n2C
InChIInChI=1S/C20H21N3O3S/c1-22-14-6-5-13(26-2)10-12(14)11-16(22)20(25)23-9-3-4-15(23)17-7-8-18(27-17)19(21)24/h5-8,10-11,15H,3-4,9H2,1-2H3,(H2,21,24)
InChIKeyHHUJWYAXCBFECG-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.32
Rot. Bonds4

About 5-[1-(5-methoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide

5-[1-(5-methoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide (PubChem CID 45244350) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 5-[1-(5-methoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-(5-methoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
PubChem CID45244350
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name5-[1-(5-methoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)N1CCCC1c1ccc(C(N)=O)s1)n2C
InChIInChI=1S/C20H21N3O3S/c1-22-14-6-5-13(26-2)10-12(14)11-16(22)20(25)23-9-3-4-15(23)17-7-8-18(27-17)19(21)24/h5-8,10-11,15H,3-4,9H2,1-2H3,(H2,21,24)
InChIKeyHHUJWYAXCBFECG-UHFFFAOYSA-N
XLogP3.32
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-methoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-[1-(5-methoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide (CID 45244350) is 5-[1-(5-methoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[1-(5-methoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-[1-(5-methoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide is COc1ccc2c(c1)cc(C(=O)N1CCCC1c1ccc(C(N)=O)s1)n2C.
What is the InChIKey of 5-[1-(5-methoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
The InChIKey is HHUJWYAXCBFECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-22-14-6-5-13(26-2)10-12(14)11-16(22)20(25)23-9-3-4-15(23)17-7-8-18(27-17)19(21)24/h5-8,10-11,15H,3-4,9H2,1-2H3,(H2,21,24).
What are the key properties of 5-[1-(5-methoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
5-[1-(5-methoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-methoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 45244350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).