cis-(1R,3S)-3-[(3-thiophen-3-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid

C18H19NO3S — CID 167759494

IUPACcis-(1R,3S)-3-[(3-thiophen-3-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](C(=O)NCc2cccc(-c3ccsc3)c2)C1
InChIInChI=1S/C18H19NO3S/c20-17(14-4-5-15(9-14)18(21)22)19-10-12-2-1-3-13(8-12)16-6-7-23-11-16/h1-3,6-8,11,14-15H,4-5,9-10H2,(H,19,20)(H,21,22)/t14-,15+/m0/s1
InChIKeyFFNQHJMEQGPEDS-LSDHHAIUSA-N
MW329.42 g/mol
LogP3.53
Rot. Bonds5

About cis-(1R,3S)-3-[(3-thiophen-3-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(3-thiophen-3-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 167759494) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(3-thiophen-3-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(3-thiophen-3-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID167759494
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Namecis-(1R,3S)-3-[(3-thiophen-3-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](C(=O)NCc2cccc(-c3ccsc3)c2)C1
InChIInChI=1S/C18H19NO3S/c20-17(14-4-5-15(9-14)18(21)22)19-10-12-2-1-3-13(8-12)16-6-7-23-11-16/h1-3,6-8,11,14-15H,4-5,9-10H2,(H,19,20)(H,21,22)/t14-,15+/m0/s1
InChIKeyFFNQHJMEQGPEDS-LSDHHAIUSA-N
XLogP3.53
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-[(3-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552932
cis-(1R,3S)-3-amino-N-[(3-phenylphenyl)methyl]cyclohexane-1-carboxamide
CID 74246620
(2S,4S)-2-methyl-N-[[3-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120630059
4-[(3-bromophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783652
3-[(4-bromophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103549862
(3S)-N-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]methyl]-3-fluorocyclopentane-1-carboxamide
CID 118342893
3-[3-[[(3-fluorocyclobutanecarbonyl)amino]methyl]phenyl]benzoic acid
CID 166317989
3-[(2-hydroxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103551256
3-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550612
N-[[3-[(cyclopent-3-ene-1-carbonylamino)methyl]phenyl]methyl]cyclopent-3-ene-1-carboxamide
CID 75437000
methyl 2-(3-thiophen-3-ylphenyl)acetate
CID 141177375
cumene;N-[(3-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 159103877

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(3-thiophen-3-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(3-thiophen-3-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid (CID 167759494) is cis-(1R,3S)-3-[(3-thiophen-3-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(3-thiophen-3-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(3-thiophen-3-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid is O=C(O)[C@@H]1CC[C@H](C(=O)NCc2cccc(-c3ccsc3)c2)C1.
What is the InChIKey of cis-(1R,3S)-3-[(3-thiophen-3-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is FFNQHJMEQGPEDS-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H19NO3S/c20-17(14-4-5-15(9-14)18(21)22)19-10-12-2-1-3-13(8-12)16-6-7-23-11-16/h1-3,6-8,11,14-15H,4-5,9-10H2,(H,19,20)(H,21,22)/t14-,15+/m0/s1.
What are the key properties of cis-(1R,3S)-3-[(3-thiophen-3-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(3-thiophen-3-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 329.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(3-thiophen-3-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 167759494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).