N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide

C14H19N3O3S2 — CID 3941813

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NC2=NCCS2)cc1C
InChIInChI=1S/C14H19N3O3S2/c1-10-3-4-12(9-11(10)2)22(19,20)16-6-5-13(18)17-14-15-7-8-21-14/h3-4,9,16H,5-8H2,1-2H3,(H,15,17,18)
InChIKeyCEGLKONOYRGDPW-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.19
Rot. Bonds5

About N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide (PubChem CID 3941813) has the molecular formula C14H19N3O3S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
PubChem CID3941813
Molecular FormulaC14H19N3O3S2
Molecular Weight341.46 g/mol
Exact Mass341.09
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NC2=NCCS2)cc1C
InChIInChI=1S/C14H19N3O3S2/c1-10-3-4-12(9-11(10)2)22(19,20)16-6-5-13(18)17-14-15-7-8-21-14/h3-4,9,16H,5-8H2,1-2H3,(H,15,17,18)
InChIKeyCEGLKONOYRGDPW-UHFFFAOYSA-N
XLogP1.19
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(4-Oxo-1,3-thiazolidin-2-ylidene)amino]ethyl]benzenesulfonamide
CID 137644307
N-[2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]-4-methylbenzenesulfonamide
CID 135966000
2-(Allylimino)-5-methyl-3-[(4-methylphenyl)sulfonyl]-1,3-thiazolidin-4-one
CID 4105515
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide
CID 40201195
(3E)-1-(4-methylphenyl)sulfonyl-3-(4-oxo-1,3-thiazolidin-2-ylidene)urea
CID 135452602
(5R)-5-methyl-3-(4-methylphenyl)sulfonyl-2-prop-2-enylimino-1,3-thiazolidin-4-one
CID 1581671
(5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-prop-2-enylimino-1,3-thiazolidin-4-one
CID 1581672
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide
CID 8180108
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide
CID 8180112
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 8180120
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 8895391
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 9204451

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide (CID 3941813) is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)NC2=NCCS2)cc1C.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
The InChIKey is CEGLKONOYRGDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S2/c1-10-3-4-12(9-11(10)2)22(19,20)16-6-5-13(18)17-14-15-7-8-21-14/h3-4,9,16H,5-8H2,1-2H3,(H,15,17,18).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide has a molecular weight of 341.46 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 3941813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).