N-[[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]thiophene-3-carboxamide

C17H19ClN2OS — CID 95204634

IUPACN-[[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]thiophene-3-carboxamide
SMILESO=C(NC[C@@H]1CCN(Cc2cccc(Cl)c2)C1)c1ccsc1
InChIInChI=1S/C17H19ClN2OS/c18-16-3-1-2-13(8-16)10-20-6-4-14(11-20)9-19-17(21)15-5-7-22-12-15/h1-3,5,7-8,12,14H,4,6,9-11H2,(H,19,21)/t14-/m0/s1
InChIKeyVRIUTNAQSQNQJM-AWEZNQCLSA-N
MW334.87 g/mol
LogP3.65
Rot. Bonds5

About N-[[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]thiophene-3-carboxamide

N-[[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]thiophene-3-carboxamide (PubChem CID 95204634) has the molecular formula C17H19ClN2OS and a molecular weight of 334.87 g/mol. Its IUPAC name is N-[[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]thiophene-3-carboxamide
PubChem CID95204634
Molecular FormulaC17H19ClN2OS
Molecular Weight334.87 g/mol
Exact Mass334.09
IUPAC NameN-[[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]thiophene-3-carboxamide
SMILESO=C(NC[C@@H]1CCN(Cc2cccc(Cl)c2)C1)c1ccsc1
InChIInChI=1S/C17H19ClN2OS/c18-16-3-1-2-13(8-16)10-20-6-4-14(11-20)9-19-17(21)15-5-7-22-12-15/h1-3,5,7-8,12,14H,4,6,9-11H2,(H,19,21)/t14-/m0/s1
InChIKeyVRIUTNAQSQNQJM-AWEZNQCLSA-N
XLogP3.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]thiophene-3-carboxamide
CID 56708358
N-[1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47550206
4-ethenyl-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 95226196
3-hydroxy-N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 95194185
2-hydroxy-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 95208561
N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(methylamino)benzamide
CID 95193324
N-[[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 25450902
N-[4-[(1-benzylpyrrolidin-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
CID 18156372
N-[5-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
CID 90532221
[1-[[3-(aminomethyl)phenyl]methyl]pyrrolidin-3-yl]methylcarbamic acid
CID 135324861
1-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 51063843
(1-benzylpyrrolidin-3-yl)methylurea
CID 119030980

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]thiophene-3-carboxamide?
The IUPAC name of N-[[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]thiophene-3-carboxamide (CID 95204634) is N-[[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]thiophene-3-carboxamide is O=C(NC[C@@H]1CCN(Cc2cccc(Cl)c2)C1)c1ccsc1.
What is the InChIKey of N-[[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]thiophene-3-carboxamide?
The InChIKey is VRIUTNAQSQNQJM-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19ClN2OS/c18-16-3-1-2-13(8-16)10-20-6-4-14(11-20)9-19-17(21)15-5-7-22-12-15/h1-3,5,7-8,12,14H,4,6,9-11H2,(H,19,21)/t14-/m0/s1.
What are the key properties of N-[[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]thiophene-3-carboxamide?
N-[[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]thiophene-3-carboxamide has a molecular weight of 334.87 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 95204634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).