N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide

C28H22N4O2S2 — CID 19712613

IUPACN-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
SMILESO=C(CSc1ccc(NC(=O)Nc2ccccc2)cc1)Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C28H22N4O2S2/c33-26(32-28-31-25(17-36-28)21-11-10-19-6-4-5-7-20(19)16-21)18-35-24-14-12-23(13-15-24)30-27(34)29-22-8-2-1-3-9-22/h1-17H,18H2,(H2,29,30,34)(H,31,32,33)
InChIKeyWLCKCDPCVTZIKR-UHFFFAOYSA-N
MW510.64 g/mol
LogP7.34
Rot. Bonds7

About N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide

N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide (PubChem CID 19712613) has the molecular formula C28H22N4O2S2 and a molecular weight of 510.64 g/mol. Its IUPAC name is N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
PubChem CID19712613
Molecular FormulaC28H22N4O2S2
Molecular Weight510.64 g/mol
Exact Mass510.12
IUPAC NameN-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
SMILESO=C(CSc1ccc(NC(=O)Nc2ccccc2)cc1)Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C28H22N4O2S2/c33-26(32-28-31-25(17-36-28)21-11-10-19-6-4-5-7-20(19)16-21)18-35-24-14-12-23(13-15-24)30-27(34)29-22-8-2-1-3-9-22/h1-17H,18H2,(H2,29,30,34)(H,31,32,33)
InChIKeyWLCKCDPCVTZIKR-UHFFFAOYSA-N
XLogP7.34
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.64
LogP ≤ 57.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[4-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 19712023
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
CID 26893874
N-[4-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 19712240
N-[4-[2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 19712249
N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]butanamide
CID 18899148
2-fluoro-N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 18899724
2-[[4-[2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 19713032
N-[(Z)-3-[4-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylanilino]-3-oxo-1-thiophen-3-ylprop-1-en-2-yl]benzamide
CID 22192602
2-(4-chlorophenyl)sulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19203551
(E)-4-oxo-4-[4-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylanilino]but-2-enoic acid
CID 19713252
2-(4-acetamidophenyl)sulfanyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 26301328
N-[(Z)-3-[4-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylanilino]-3-oxo-1-(4-propan-2-ylphenyl)prop-1-en-2-yl]benzamide
CID 22192440

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide?
The IUPAC name of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide (CID 19712613) is N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide.
What is the SMILES notation for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide?
The canonical SMILES for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide is O=C(CSc1ccc(NC(=O)Nc2ccccc2)cc1)Nc1nc(-c2ccc3ccccc3c2)cs1.
What is the InChIKey of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide?
The InChIKey is WLCKCDPCVTZIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O2S2/c33-26(32-28-31-25(17-36-28)21-11-10-19-6-4-5-7-20(19)16-21)18-35-24-14-12-23(13-15-24)30-27(34)29-22-8-2-1-3-9-22/h1-17H,18H2,(H2,29,30,34)(H,31,32,33).
What are the key properties of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide?
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide has a molecular weight of 510.64 g/mol, XLogP of 7.34, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide is sourced from PubChem (CID 19712613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).