5-phenyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxamide

C17H20N3O2S+ — CID 3534907

IUPAC5-phenyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1NC(=O)C[NH+]1CCCC1
InChIInChI=1S/C17H19N3O2S/c18-16(22)13-10-14(12-6-2-1-3-7-12)23-17(13)19-15(21)11-20-8-4-5-9-20/h1-3,6-7,10H,4-5,8-9,11H2,(H2,18,22)(H,19,21)/p+1
InChIKeyFUNUWASQFXPTEL-UHFFFAOYSA-O
MW330.43 g/mol
LogP1.13
Rot. Bonds5

About 5-phenyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxamide

5-phenyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxamide (PubChem CID 3534907) has the molecular formula C17H20N3O2S+ and a molecular weight of 330.43 g/mol. Its IUPAC name is 5-phenyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxamide
PubChem CID3534907
Molecular FormulaC17H20N3O2S+
Molecular Weight330.43 g/mol
Exact Mass330.13
IUPAC Name5-phenyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1NC(=O)C[NH+]1CCCC1
InChIInChI=1S/C17H19N3O2S/c18-16(22)13-10-14(12-6-2-1-3-7-12)23-17(13)19-15(21)11-20-8-4-5-9-20/h1-3,6-7,10H,4-5,8-9,11H2,(H2,18,22)(H,19,21)/p+1
InChIKeyFUNUWASQFXPTEL-UHFFFAOYSA-O
XLogP1.13
TPSA76.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-2-[(2-sulfanylacetyl)amino]thiophene-3-carboxamide
CID 87897926
2-[[2-(cyclopentylamino)acetyl]amino]-5-phenylthiophene-3-carboxamide
CID 9169110
[2-[(3-carbamoyl-5-phenylthiophen-2-yl)amino]-2-oxoethyl]-(3-morpholin-4-ium-4-ylpropyl)azanium
CID 8852451
2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-phenylthiophene-3-carboxamide
CID 7998372
2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5-phenylthiophene-3-carboxamide
CID 16857900
2-[[2-(4-acetylanilino)acetyl]amino]-5-phenylthiophene-3-carboxamide
CID 9113396
methyl 2-[[2-(2,6-dimethylmorpholin-4-ium-4-yl)acetyl]amino]-5-phenylthiophene-3-carboxylate
CID 3263627
2-(3-phenothiazin-10-ylpropanoylamino)-5-phenylthiophene-3-carboxamide
CID 2446842
2-[3-(4-methylphenyl)sulfonylpropanoylamino]-5-phenylthiophene-3-carboxamide
CID 16857906
2-[(4-methylphenyl)carbamoylamino]-5-phenylthiophene-3-carboxamide
CID 118729460
5-phenyl-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide
CID 70158303
(2R)-N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27452148

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxamide?
The IUPAC name of 5-phenyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxamide (CID 3534907) is 5-phenyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-phenyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 5-phenyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxamide is NC(=O)c1cc(-c2ccccc2)sc1NC(=O)C[NH+]1CCCC1.
What is the InChIKey of 5-phenyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxamide?
The InChIKey is FUNUWASQFXPTEL-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H19N3O2S/c18-16(22)13-10-14(12-6-2-1-3-7-12)23-17(13)19-15(21)11-20-8-4-5-9-20/h1-3,6-7,10H,4-5,8-9,11H2,(H2,18,22)(H,19,21)/p+1.
What are the key properties of 5-phenyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxamide?
5-phenyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 3534907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).