(3R)-1-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)pyrrolidine-3-carboxamide

C15H15FN2O2S — CID 94467335

IUPAC(3R)-1-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)pyrrolidine-3-carboxamide
SMILESCc1c(C(=O)N2CC[C@@H](C(N)=O)C2)sc2ccc(F)cc12
InChIInChI=1S/C15H15FN2O2S/c1-8-11-6-10(16)2-3-12(11)21-13(8)15(20)18-5-4-9(7-18)14(17)19/h2-3,6,9H,4-5,7H2,1H3,(H2,17,19)/t9-/m1/s1
InChIKeyUIFXUGQMNLGOGW-SECBINFHSA-N
MW306.36 g/mol
LogP2.30
Rot. Bonds2

About (3R)-1-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)pyrrolidine-3-carboxamide

(3R)-1-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 94467335) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is (3R)-1-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)pyrrolidine-3-carboxamide
PubChem CID94467335
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name(3R)-1-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)pyrrolidine-3-carboxamide
SMILESCc1c(C(=O)N2CC[C@@H](C(N)=O)C2)sc2ccc(F)cc12
InChIInChI=1S/C15H15FN2O2S/c1-8-11-6-10(16)2-3-12(11)21-13(8)15(20)18-5-4-9(7-18)14(17)19/h2-3,6,9H,4-5,7H2,1H3,(H2,17,19)/t9-/m1/s1
InChIKeyUIFXUGQMNLGOGW-SECBINFHSA-N
XLogP2.30
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,6S)-1-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95585455
(3-amino-5-fluoro-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102970960
(3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxamide
CID 94512731
2-[[(2S)-4-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129476856
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(5-methoxy-3-methyl-1-benzothiophen-2-yl)methanone
CID 124611699
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(5-fluoro-3-methyl-1-benzothiophen-2-yl)methanone
CID 55996687
[3-[[1-[5-(4-fluorophenyl)-3-methyl-1-benzothiophene-2-carbonyl]azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone
CID 67518227
(5-fluoro-3-methyl-1-benzothiophen-2-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119470846
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-3-carboxamide
CID 103865451
(3-hydroxypyrrolidin-1-yl)-(3-methyl-1-benzothiophen-2-yl)methanone
CID 62916236
1-(4-fluoro-2-iodobenzoyl)piperidine-3-carboxamide
CID 103617048

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)pyrrolidine-3-carboxamide (CID 94467335) is (3R)-1-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)pyrrolidine-3-carboxamide is Cc1c(C(=O)N2CC[C@@H](C(N)=O)C2)sc2ccc(F)cc12.
What is the InChIKey of (3R)-1-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is UIFXUGQMNLGOGW-SECBINFHSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c1-8-11-6-10(16)2-3-12(11)21-13(8)15(20)18-5-4-9(7-18)14(17)19/h2-3,6,9H,4-5,7H2,1H3,(H2,17,19)/t9-/m1/s1.
What are the key properties of (3R)-1-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)pyrrolidine-3-carboxamide?
(3R)-1-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 94467335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).