1-(3-chlorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclopentane-1-carboxamide

C20H18ClN3OS — CID 55984772

IUPAC1-(3-chlorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclopentane-1-carboxamide
SMILESO=C(Nc1ccc(-c2csnn2)cc1)C1(c2cccc(Cl)c2)CCCC1
InChIInChI=1S/C20H18ClN3OS/c21-16-5-3-4-15(12-16)20(10-1-2-11-20)19(25)22-17-8-6-14(7-9-17)18-13-26-24-23-18/h3-9,12-13H,1-2,10-11H2,(H,22,25)
InChIKeyAAYNGRUCFOQDKX-UHFFFAOYSA-N
MW383.90 g/mol
LogP5.31
Rot. Bonds4

About 1-(3-chlorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclopentane-1-carboxamide

1-(3-chlorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclopentane-1-carboxamide (PubChem CID 55984772) has the molecular formula C20H18ClN3OS and a molecular weight of 383.90 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclopentane-1-carboxamide
PubChem CID55984772
Molecular FormulaC20H18ClN3OS
Molecular Weight383.90 g/mol
Exact Mass383.09
IUPAC Name1-(3-chlorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclopentane-1-carboxamide
SMILESO=C(Nc1ccc(-c2csnn2)cc1)C1(c2cccc(Cl)c2)CCCC1
InChIInChI=1S/C20H18ClN3OS/c21-16-5-3-4-15(12-16)20(10-1-2-11-20)19(25)22-17-8-6-14(7-9-17)18-13-26-24-23-18/h3-9,12-13H,1-2,10-11H2,(H,22,25)
InChIKeyAAYNGRUCFOQDKX-UHFFFAOYSA-N
XLogP5.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.90
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 60542537
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CID 110439132
1-(3-chlorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide
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1-(3-chlorophenyl)-N-[4-[4-(hydroxymethyl)triazol-1-yl]phenyl]cyclohexane-1-carboxamide
CID 75455610
1-(3-chlorophenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]cyclohexane-1-carboxamide
CID 134048262
N-(5-acetamido-2-pyridinyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 139002279
1-(3-chlorophenyl)-N-(6-oxo-1H-pyrazin-2-yl)cyclohexane-1-carboxamide
CID 166355507
2-(3-chlorophenoxy)-N-[4-(thiadiazol-4-yl)phenyl]propanamide
CID 55984940
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CID 110439114
1-(3-chlorophenyl)-N-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 31779380
4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]-N-propan-2-ylbenzamide
CID 55887284
N-(3-amino-4-methoxyphenyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 119420235

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclopentane-1-carboxamide (CID 55984772) is 1-(3-chlorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclopentane-1-carboxamide is O=C(Nc1ccc(-c2csnn2)cc1)C1(c2cccc(Cl)c2)CCCC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is AAYNGRUCFOQDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3OS/c21-16-5-3-4-15(12-16)20(10-1-2-11-20)19(25)22-17-8-6-14(7-9-17)18-13-26-24-23-18/h3-9,12-13H,1-2,10-11H2,(H,22,25).
What are the key properties of 1-(3-chlorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclopentane-1-carboxamide?
1-(3-chlorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 383.90 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 55984772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).