N-[4-[2-[[(E)-2-phenylethenyl]sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide

C19H17N3O3S2 — CID 8504630

IUPACN-[4-[2-[[(E)-2-phenylethenyl]sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(NS(=O)(=O)/C=C/c3ccccc3)n2)cc1
InChIInChI=1S/C19H17N3O3S2/c1-14(23)20-17-9-7-16(8-10-17)18-13-26-19(21-18)22-27(24,25)12-11-15-5-3-2-4-6-15/h2-13H,1H3,(H,20,23)(H,21,22)/b12-11+
InChIKeyMAFRJCQKBBHBAG-VAWYXSNFSA-N
MW399.50 g/mol
LogP4.18
Rot. Bonds6

About N-[4-[2-[[(E)-2-phenylethenyl]sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide

N-[4-[2-[[(E)-2-phenylethenyl]sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 8504630) has the molecular formula C19H17N3O3S2 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-[4-[2-[[(E)-2-phenylethenyl]sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[[(E)-2-phenylethenyl]sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID8504630
Molecular FormulaC19H17N3O3S2
Molecular Weight399.50 g/mol
Exact Mass399.07
IUPAC NameN-[4-[2-[[(E)-2-phenylethenyl]sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(NS(=O)(=O)/C=C/c3ccccc3)n2)cc1
InChIInChI=1S/C19H17N3O3S2/c1-14(23)20-17-9-7-16(8-10-17)18-13-26-19(21-18)22-27(24,25)12-11-15-5-3-2-4-6-15/h2-13H,1H3,(H,20,23)(H,21,22)/b12-11+
InChIKeyMAFRJCQKBBHBAG-VAWYXSNFSA-N
XLogP4.18
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-2-phenyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]ethenesulfonamide
CID 73168633
N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 4820967
(E)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)prop-2-enamide
CID 8502228
4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2463728
N-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 13219373
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 2545965
N-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 2560713
N-[4-[2-[(3-acetylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 8504634
(E)-3-(4-acetamidophenyl)-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 98674905
(E)-N-[2-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 55560645
2-[(Z)-2-(4-methylphenyl)ethenyl]sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 102135033
N-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564808

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[(E)-2-phenylethenyl]sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[[(E)-2-phenylethenyl]sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide (CID 8504630) is N-[4-[2-[[(E)-2-phenylethenyl]sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[[(E)-2-phenylethenyl]sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[[(E)-2-phenylethenyl]sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)/C=C/c3ccccc3)n2)cc1.
What is the InChIKey of N-[4-[2-[[(E)-2-phenylethenyl]sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is MAFRJCQKBBHBAG-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H17N3O3S2/c1-14(23)20-17-9-7-16(8-10-17)18-13-26-19(21-18)22-27(24,25)12-11-15-5-3-2-4-6-15/h2-13H,1H3,(H,20,23)(H,21,22)/b12-11+.
What are the key properties of N-[4-[2-[[(E)-2-phenylethenyl]sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide?
N-[4-[2-[[(E)-2-phenylethenyl]sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 399.50 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[(E)-2-phenylethenyl]sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 8504630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).