3-cyclohexyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide

C18H23N3O3S2 — CID 1080629

IUPAC3-cyclohexyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H23N3O3S2/c22-17(11-6-14-4-2-1-3-5-14)20-15-7-9-16(10-8-15)26(23,24)21-18-19-12-13-25-18/h7-10,12-14H,1-6,11H2,(H,19,21)(H,20,22)
InChIKeyFDFXEUDQYJRMQP-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.24
Rot. Bonds7

About 3-cyclohexyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide

3-cyclohexyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 1080629) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 3-cyclohexyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
PubChem CID1080629
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC Name3-cyclohexyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H23N3O3S2/c22-17(11-6-14-4-2-1-3-5-14)20-15-7-9-16(10-8-15)26(23,24)21-18-19-12-13-25-18/h7-10,12-14H,1-6,11H2,(H,19,21)(H,20,22)
InChIKeyFDFXEUDQYJRMQP-UHFFFAOYSA-N
XLogP4.24
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Succinylsulfathiazole
CID 5315
Acetylsulfathiazole
CID 67183
2,2-Diphenyl-N-(4-(1,3-thiazol-2-ylsulfamoyl)phenyl)acetamide
CID 998021
2-Chloro-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide
CID 721139
2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 1010637
2,2-dimethyl-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}propanamide
CID 503707
2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 3148020
N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}butanamide
CID 903095
4-[methyl(phenylsulfonyl)amino]-N-1,3-thiazol-2-ylbenzamide
CID 1309992
3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 784406
3-(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}propanamide
CID 5817814
5-chloro-2-fluoro-4-[(4-oxocyclohexyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134477268

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (CID 1080629) is 3-cyclohexyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is O=C(CCC1CCCCC1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 3-cyclohexyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is FDFXEUDQYJRMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2/c22-17(11-6-14-4-2-1-3-5-14)20-15-7-9-16(10-8-15)26(23,24)21-18-19-12-13-25-18/h7-10,12-14H,1-6,11H2,(H,19,21)(H,20,22).
What are the key properties of 3-cyclohexyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
3-cyclohexyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 393.53 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 1080629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).