3-cyclopentylsulfonyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide

C16H19N3O3S2 — CID 55880683

IUPAC3-cyclopentylsulfonyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
SMILESO=C(CCS(=O)(=O)C1CCCC1)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C16H19N3O3S2/c20-14(10-11-24(21,22)13-8-4-5-9-13)17-16-18-15(19-23-16)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,17,18,19,20)
InChIKeyDFVJJBDXCKANGW-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.89
Rot. Bonds6

About 3-cyclopentylsulfonyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide

3-cyclopentylsulfonyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide (PubChem CID 55880683) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
PubChem CID55880683
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC Name3-cyclopentylsulfonyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
SMILESO=C(CCS(=O)(=O)C1CCCC1)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C16H19N3O3S2/c20-14(10-11-24(21,22)13-8-4-5-9-13)17-16-18-15(19-23-16)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,17,18,19,20)
InChIKeyDFVJJBDXCKANGW-UHFFFAOYSA-N
XLogP2.89
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyclopentylsulfonyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
CID 49327440
2-cyclohexyloxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 87025493
N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclohexanecarboxamide
CID 10637031
2-(1-hydroxycyclopentyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 111430681
3-cyclopentylsulfonyl-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]propanamide
CID 55760133
2-[2-(3-cyclopentylsulfonylpropanoylamino)phenyl]acetic acid
CID 119218357
2-(4-chlorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 17013300
1-phenyl-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 10803880
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 97023354
1-[(1R,2S)-2-methylcyclopentyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 99804569
(3-phenyl-1,2,4-thiadiazol-5-yl)carbamothioic S-acid
CID 135291997
4-[(3-phenyl-1,2,4-thiadiazol-5-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076895

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide?
The IUPAC name of 3-cyclopentylsulfonyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide (CID 55880683) is 3-cyclopentylsulfonyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide.
What is the SMILES notation for 3-cyclopentylsulfonyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide?
The canonical SMILES for 3-cyclopentylsulfonyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide is O=C(CCS(=O)(=O)C1CCCC1)Nc1nc(-c2ccccc2)ns1.
What is the InChIKey of 3-cyclopentylsulfonyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide?
The InChIKey is DFVJJBDXCKANGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c20-14(10-11-24(21,22)13-8-4-5-9-13)17-16-18-15(19-23-16)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,17,18,19,20).
What are the key properties of 3-cyclopentylsulfonyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide?
3-cyclopentylsulfonyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide has a molecular weight of 365.48 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide is sourced from PubChem (CID 55880683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).