4,5-dimethyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]thiophene-2-carboxamide

C18H22N2OS — CID 38442776

IUPAC4,5-dimethyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)NC[C@H]2CCN(c3ccccc3)C2)sc1C
InChIInChI=1S/C18H22N2OS/c1-13-10-17(22-14(13)2)18(21)19-11-15-8-9-20(12-15)16-6-4-3-5-7-16/h3-7,10,15H,8-9,11-12H2,1-2H3,(H,19,21)/t15-/m1/s1
InChIKeyIDVSFASJJFKCBY-OAHLLOKOSA-N
MW314.45 g/mol
LogP3.62
Rot. Bonds4

About 4,5-dimethyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]thiophene-2-carboxamide

4,5-dimethyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]thiophene-2-carboxamide (PubChem CID 38442776) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 4,5-dimethyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]thiophene-2-carboxamide
PubChem CID38442776
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name4,5-dimethyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)NC[C@H]2CCN(c3ccccc3)C2)sc1C
InChIInChI=1S/C18H22N2OS/c1-13-10-17(22-14(13)2)18(21)19-11-15-8-9-20(12-15)16-6-4-3-5-7-16/h3-7,10,15H,8-9,11-12H2,1-2H3,(H,19,21)/t15-/m1/s1
InChIKeyIDVSFASJJFKCBY-OAHLLOKOSA-N
XLogP3.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 35201071
5-bromo-3-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]furan-2-carboxamide
CID 47055377
2,5-dimethyl-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrole-3-carboxamide
CID 55678741
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
2-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]furan-3-carboxamide
CID 38442503
2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957578
ethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate
CID 110640322
5-fluoro-3-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1-benzothiophene-2-carboxamide
CID 55996331
2-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640445
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4,5-dimethylthiophene-2-carboxamide
CID 97060537
3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957565
3-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640446

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]thiophene-2-carboxamide (CID 38442776) is 4,5-dimethyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]thiophene-2-carboxamide is Cc1cc(C(=O)NC[C@H]2CCN(c3ccccc3)C2)sc1C.
What is the InChIKey of 4,5-dimethyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]thiophene-2-carboxamide?
The InChIKey is IDVSFASJJFKCBY-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-13-10-17(22-14(13)2)18(21)19-11-15-8-9-20(12-15)16-6-4-3-5-7-16/h3-7,10,15H,8-9,11-12H2,1-2H3,(H,19,21)/t15-/m1/s1.
What are the key properties of 4,5-dimethyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]thiophene-2-carboxamide?
4,5-dimethyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]thiophene-2-carboxamide has a molecular weight of 314.45 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 38442776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).