N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide

C19H22N2O3S — CID 42932762

IUPACN-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
SMILESCOc1cccc(C2CCCN2C(=O)CCNC(=O)c2cccs2)c1
InChIInChI=1S/C19H22N2O3S/c1-24-15-6-2-5-14(13-15)16-7-3-11-21(16)18(22)9-10-20-19(23)17-8-4-12-25-17/h2,4-6,8,12-13,16H,3,7,9-11H2,1H3,(H,20,23)
InChIKeySQQSDRBQBMCDNM-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.24
Rot. Bonds6

About N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide

N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 42932762) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
PubChem CID42932762
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
SMILESCOc1cccc(C2CCCN2C(=O)CCNC(=O)c2cccs2)c1
InChIInChI=1S/C19H22N2O3S/c1-24-15-6-2-5-14(13-15)16-7-3-11-21(16)18(22)9-10-20-19(23)17-8-4-12-25-17/h2,4-6,8,12-13,16H,3,7,9-11H2,1H3,(H,20,23)
InChIKeySQQSDRBQBMCDNM-UHFFFAOYSA-N
XLogP3.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 31797256
4-chloro-N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]benzamide
CID 46536620
N-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 17473150
2-chloro-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 51889844
N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]butanamide
CID 136577876
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
3-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
CID 51982733
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 78795052
2-(azetidin-3-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 64610151
N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylbenzamide
CID 51318560
4-fluoro-N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 51325119
(3-aminothiophen-2-yl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 61111484

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide (CID 42932762) is N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide is COc1cccc(C2CCCN2C(=O)CCNC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is SQQSDRBQBMCDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-24-15-6-2-5-14(13-15)16-7-3-11-21(16)18(22)9-10-20-19(23)17-8-4-12-25-17/h2,4-6,8,12-13,16H,3,7,9-11H2,1H3,(H,20,23).
What are the key properties of N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide?
N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 42932762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).