N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide

C32H20Cl2N4O3S2 — CID 3542120

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Oc2ccc(C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)cc2)cc1
InChIInChI=1S/C32H20Cl2N4O3S2/c33-23-9-1-19(2-10-23)27-17-42-31(35-27)37-29(39)21-5-13-25(14-6-21)41-26-15-7-22(8-16-26)30(40)38-32-36-28(18-43-32)20-3-11-24(34)12-4-20/h1-18H,(H,35,37,39)(H,36,38,40)
InChIKeyPQTVJTCUUCQRLP-UHFFFAOYSA-N
MW643.58 g/mol
LogP9.54
Rot. Bonds8

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide (PubChem CID 3542120) has the molecular formula C32H20Cl2N4O3S2 and a molecular weight of 643.58 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
PubChem CID3542120
Molecular FormulaC32H20Cl2N4O3S2
Molecular Weight643.58 g/mol
Exact Mass642.04
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Oc2ccc(C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)cc2)cc1
InChIInChI=1S/C32H20Cl2N4O3S2/c33-23-9-1-19(2-10-23)27-17-42-31(35-27)37-29(39)21-5-13-25(14-6-21)41-26-15-7-22(8-16-26)30(40)38-32-36-28(18-43-32)20-3-11-24(34)12-4-20/h1-18H,(H,35,37,39)(H,36,38,40)
InChIKeyPQTVJTCUUCQRLP-UHFFFAOYSA-N
XLogP9.54
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.58
LogP ≤ 59.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide
CID 4660471
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 5212539
4-acetamido-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7923619
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4111369
N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzohydrazide
CID 1497726
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-chlorobenzamide
CID 42568023
3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 30435747
4-propan-2-yloxy-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4118646
N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 4671588
4-(benzenesulfonamido)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 121043565
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55649325

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide (CID 3542120) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide is O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Oc2ccc(C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)cc2)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide?
The InChIKey is PQTVJTCUUCQRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20Cl2N4O3S2/c33-23-9-1-19(2-10-23)27-17-42-31(35-27)37-29(39)21-5-13-25(14-6-21)41-26-15-7-22(8-16-26)30(40)38-32-36-28(18-43-32)20-3-11-24(34)12-4-20/h1-18H,(H,35,37,39)(H,36,38,40).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide has a molecular weight of 643.58 g/mol, XLogP of 9.54, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide is sourced from PubChem (CID 3542120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).