3-(2-chlorophenyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide

C18H19ClN2OS — CID 171137288

IUPAC3-(2-chlorophenyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide
SMILESO=C(C=Cc1ccccc1Cl)NC1CCN(Cc2ccsc2)C1
InChIInChI=1S/C18H19ClN2OS/c19-17-4-2-1-3-15(17)5-6-18(22)20-16-7-9-21(12-16)11-14-8-10-23-13-14/h1-6,8,10,13,16H,7,9,11-12H2,(H,20,22)
InChIKeyPPRUHLKOBFBZEP-UHFFFAOYSA-N
MW346.88 g/mol
LogP3.81
Rot. Bonds5

About 3-(2-chlorophenyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide

3-(2-chlorophenyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide (PubChem CID 171137288) has the molecular formula C18H19ClN2OS and a molecular weight of 346.88 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide
PubChem CID171137288
Molecular FormulaC18H19ClN2OS
Molecular Weight346.88 g/mol
Exact Mass346.09
IUPAC Name3-(2-chlorophenyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide
SMILESO=C(C=Cc1ccccc1Cl)NC1CCN(Cc2ccsc2)C1
InChIInChI=1S/C18H19ClN2OS/c19-17-4-2-1-3-15(17)5-6-18(22)20-16-7-9-21(12-16)11-14-8-10-23-13-14/h1-6,8,10,13,16H,7,9,11-12H2,(H,20,22)
InChIKeyPPRUHLKOBFBZEP-UHFFFAOYSA-N
XLogP3.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(furan-2-yl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide
CID 126855424
4-oxo-4-phenyl-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]butanamide
CID 126851463
(E)-3-(2-chlorophenyl)-N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 6265521
N-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide
CID 164635055
3-(2-chlorophenyl)-N-cyclooctylprop-2-enamide
CID 966037
(E)-N-(1-benzylpyrrolidin-3-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 17452538
1-benzyl-N-(thiophen-3-ylmethyl)pyrrolidin-3-amine
CID 43223638
4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexane-1-carboxylic acid
CID 60809194
N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 134161550
2-(2-fluorophenoxy)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]propanamide
CID 126853825
(Z)-3-(2-methoxyphenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]prop-2-enamide
CID 67915404
N-[4-[(1-benzylpyrrolidin-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
CID 18156372

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide (CID 171137288) is 3-(2-chlorophenyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide is O=C(C=Cc1ccccc1Cl)NC1CCN(Cc2ccsc2)C1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide?
The InChIKey is PPRUHLKOBFBZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2OS/c19-17-4-2-1-3-15(17)5-6-18(22)20-16-7-9-21(12-16)11-14-8-10-23-13-14/h1-6,8,10,13,16H,7,9,11-12H2,(H,20,22).
What are the key properties of 3-(2-chlorophenyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide?
3-(2-chlorophenyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide has a molecular weight of 346.88 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide is sourced from PubChem (CID 171137288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).