N,4-dimethyl-2-oxo-N-(3-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide

C14H18N2O3S2 — CID 60985434

IUPACN,4-dimethyl-2-oxo-N-(3-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(C)CCCc1ccccc1
InChIInChI=1S/C14H18N2O3S2/c1-11-13(20-14(17)15-11)21(18,19)16(2)10-6-9-12-7-4-3-5-8-12/h3-5,7-8H,6,9-10H2,1-2H3,(H,15,17)
InChIKeyGOZJXDLBSLOWTM-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.00
Rot. Bonds6

About N,4-dimethyl-2-oxo-N-(3-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide

N,4-dimethyl-2-oxo-N-(3-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide (PubChem CID 60985434) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N,4-dimethyl-2-oxo-N-(3-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-2-oxo-N-(3-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide
PubChem CID60985434
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC NameN,4-dimethyl-2-oxo-N-(3-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(C)CCCc1ccccc1
InChIInChI=1S/C14H18N2O3S2/c1-11-13(20-14(17)15-11)21(18,19)16(2)10-6-9-12-7-4-3-5-8-12/h3-5,7-8H,6,9-10H2,1-2H3,(H,15,17)
InChIKeyGOZJXDLBSLOWTM-UHFFFAOYSA-N
XLogP2.00
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyphenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723984
N-(3-hydroxybutyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 113499785
N-benzyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60716003
N-[(3,4-dichlorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723953
N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60716009
N-methyl-N-(5-phenylpentyl)benzenesulfonamide
CID 22024838
N-[3-(dimethylamino)propyl]-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 102995737
3-amino-N-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 43587419
N-[(3-chlorophenyl)methyl]-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60984523
N,4-dimethyl-2-oxo-N-(1-thiophen-2-ylethyl)-3H-1,3-thiazole-5-sulfonamide
CID 60724800
4-methyl-2-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide
CID 54884473
methyl 3-[methyl(3-phenylpropyl)sulfamoyl]thiophene-2-carboxylate
CID 47064918

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-oxo-N-(3-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N,4-dimethyl-2-oxo-N-(3-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide (CID 60985434) is N,4-dimethyl-2-oxo-N-(3-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N,4-dimethyl-2-oxo-N-(3-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N,4-dimethyl-2-oxo-N-(3-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)N(C)CCCc1ccccc1.
What is the InChIKey of N,4-dimethyl-2-oxo-N-(3-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is GOZJXDLBSLOWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-11-13(20-14(17)15-11)21(18,19)16(2)10-6-9-12-7-4-3-5-8-12/h3-5,7-8H,6,9-10H2,1-2H3,(H,15,17).
What are the key properties of N,4-dimethyl-2-oxo-N-(3-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide?
N,4-dimethyl-2-oxo-N-(3-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 326.44 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-oxo-N-(3-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60985434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).