N-(4,5-diphenyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide

C29H23N3O4S2 — CID 121043163

IUPACN-(4,5-diphenyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3nc(-c4ccccc4)c(-c4ccccc4)s3)c2)cc1
InChIInChI=1S/C29H23N3O4S2/c1-36-24-15-17-25(18-16-24)38(34,35)32-23-14-8-13-22(19-23)28(33)31-29-30-26(20-9-4-2-5-10-20)27(37-29)21-11-6-3-7-12-21/h2-19,32H,1H3,(H,30,31,33)
InChIKeySWOZJXVZNLNBMI-UHFFFAOYSA-N
MW541.65 g/mol
LogP6.54
Rot. Bonds8

About N-(4,5-diphenyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide

N-(4,5-diphenyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide (PubChem CID 121043163) has the molecular formula C29H23N3O4S2 and a molecular weight of 541.65 g/mol. Its IUPAC name is N-(4,5-diphenyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(4,5-diphenyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
PubChem CID121043163
Molecular FormulaC29H23N3O4S2
Molecular Weight541.65 g/mol
Exact Mass541.11
IUPAC NameN-(4,5-diphenyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3nc(-c4ccccc4)c(-c4ccccc4)s3)c2)cc1
InChIInChI=1S/C29H23N3O4S2/c1-36-24-15-17-25(18-16-24)38(34,35)32-23-14-8-13-22(19-23)28(33)31-29-30-26(20-9-4-2-5-10-20)27(37-29)21-11-6-3-7-12-21/h2-19,32H,1H3,(H,30,31,33)
InChIKeySWOZJXVZNLNBMI-UHFFFAOYSA-N
XLogP6.54
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.65
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide
CID 121042716
N-benzo[g][1,3]benzothiazol-2-yl-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043145
3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide
CID 121043305
4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 1207301
N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043147
N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043159
3-(benzenesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 7541945
3-(benzenesulfonamido)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41018251
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043156
N-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7542047
5-[(4-methoxyphenyl)sulfonylamino]-N-phenylpyridine-3-carboxamide
CID 20910442
3-(benzenesulfonamido)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 24686775

Frequently Asked Questions

What is the IUPAC name of N-(4,5-diphenyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(4,5-diphenyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide (CID 121043163) is N-(4,5-diphenyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(4,5-diphenyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(4,5-diphenyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide is COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3nc(-c4ccccc4)c(-c4ccccc4)s3)c2)cc1.
What is the InChIKey of N-(4,5-diphenyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide?
The InChIKey is SWOZJXVZNLNBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O4S2/c1-36-24-15-17-25(18-16-24)38(34,35)32-23-14-8-13-22(19-23)28(33)31-29-30-26(20-9-4-2-5-10-20)27(37-29)21-11-6-3-7-12-21/h2-19,32H,1H3,(H,30,31,33).
What are the key properties of N-(4,5-diphenyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide?
N-(4,5-diphenyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide has a molecular weight of 541.65 g/mol, XLogP of 6.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-diphenyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 121043163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).