N-[5-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide

C17H18N2O2S2 — CID 97184862

IUPACN-[5-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCC[C@H]2c2cccs2)s1)C1CC1
InChIInChI=1S/C17H18N2O2S2/c20-16(11-5-6-11)18-15-8-7-14(23-15)17(21)19-9-1-3-12(19)13-4-2-10-22-13/h2,4,7-8,10-12H,1,3,5-6,9H2,(H,18,20)/t12-/m0/s1
InChIKeyJLBXPHKOWXSBQE-LBPRGKRZSA-N
MW346.48 g/mol
LogP4.14
Rot. Bonds4

About N-[5-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide

N-[5-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide (PubChem CID 97184862) has the molecular formula C17H18N2O2S2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[5-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
PubChem CID97184862
Molecular FormulaC17H18N2O2S2
Molecular Weight346.48 g/mol
Exact Mass346.08
IUPAC NameN-[5-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCC[C@H]2c2cccs2)s1)C1CC1
InChIInChI=1S/C17H18N2O2S2/c20-16(11-5-6-11)18-15-8-7-14(23-15)17(21)19-9-1-3-12(19)13-4-2-10-22-13/h2,4,7-8,10-12H,1,3,5-6,9H2,(H,18,20)/t12-/m0/s1
InChIKeyJLBXPHKOWXSBQE-LBPRGKRZSA-N
XLogP4.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(piperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 18135424
3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550294
(5-chlorofuran-2-yl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 30545695
(6-methyl-3-pyridinyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 29284515
N-[5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
CID 86903169
[4-(dimethylamino)phenyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 30035561
(2-chlorofuran-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 106686175
(3-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 47102179
2,3-dihydro-1H-isoindol-5-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 103998485
(3-chloro-1-benzothiophen-2-yl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 30035571
N-[5-(5-methyl-2-propan-2-ylazepane-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 86965945
N-[4-methyl-5-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 30093964

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide (CID 97184862) is N-[5-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide is O=C(Nc1ccc(C(=O)N2CCC[C@H]2c2cccs2)s1)C1CC1.
What is the InChIKey of N-[5-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide?
The InChIKey is JLBXPHKOWXSBQE-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18N2O2S2/c20-16(11-5-6-11)18-15-8-7-14(23-15)17(21)19-9-1-3-12(19)13-4-2-10-22-13/h2,4,7-8,10-12H,1,3,5-6,9H2,(H,18,20)/t12-/m0/s1.
What are the key properties of N-[5-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide?
N-[5-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide has a molecular weight of 346.48 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 97184862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).