N-[4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]phenyl]methanesulfonamide

C18H16N2O3S3 — CID 33293884

IUPACN-[4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)CSc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C18H16N2O3S3/c1-26(22,23)20-15-9-7-14(8-10-15)17(21)12-25-18-19-16(11-24-18)13-5-3-2-4-6-13/h2-11,20H,12H2,1H3
InChIKeyGRDPFNUZCFEZKU-UHFFFAOYSA-N
MW404.54 g/mol
LogP4.16
Rot. Bonds7

About N-[4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]phenyl]methanesulfonamide

N-[4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]phenyl]methanesulfonamide (PubChem CID 33293884) has the molecular formula C18H16N2O3S3 and a molecular weight of 404.54 g/mol. Its IUPAC name is N-[4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]phenyl]methanesulfonamide
PubChem CID33293884
Molecular FormulaC18H16N2O3S3
Molecular Weight404.54 g/mol
Exact Mass404.03
IUPAC NameN-[4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)CSc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C18H16N2O3S3/c1-26(22,23)20-15-9-7-14(8-10-15)17(21)12-25-18-19-16(11-24-18)13-5-3-2-4-6-13/h2-11,20H,12H2,1H3
InChIKeyGRDPFNUZCFEZKU-UHFFFAOYSA-N
XLogP4.16
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-1-phenylethanone
CID 3406773
ethane;4-(methanesulfonamido)-N-[4-methylsulfanyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]benzamide;molecular hydrogen
CID 153333106
N-(methylcarbamoyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3959134
N-[4-[2-(1-phenylimidazol-2-yl)sulfanylacetyl]phenyl]methanesulfonamide
CID 33362219
N,N-diethyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3401404
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 9330073
4-[(E)-[[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid
CID 19194334
N-[4-[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]methanesulfonamide
CID 8012960
2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone
CID 4986220
N-(2-hydroxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3678775
N-(2-ethylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3543552
3-(methanesulfonamido)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 18127523

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]phenyl]methanesulfonamide (CID 33293884) is N-[4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(=O)CSc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of N-[4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]phenyl]methanesulfonamide?
The InChIKey is GRDPFNUZCFEZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S3/c1-26(22,23)20-15-9-7-14(8-10-15)17(21)12-25-18-19-16(11-24-18)13-5-3-2-4-6-13/h2-11,20H,12H2,1H3.
What are the key properties of N-[4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]phenyl]methanesulfonamide?
N-[4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]phenyl]methanesulfonamide has a molecular weight of 404.54 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]phenyl]methanesulfonamide is sourced from PubChem (CID 33293884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).