sodium;1-[4-[3-chloro-4-[4-[(2-chlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;ethane

C32H33Cl2N2NaO4S — CID 144533271

About sodium;1-[4-[3-chloro-4-[4-[(2-chlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;ethane

sodium;1-[4-[3-chloro-4-[4-[(2-chlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;ethane (PubChem CID 144533271) has the molecular formula C32H33Cl2N2NaO4S and a molecular weight of 635.59 g/mol. Its IUPAC name is sodium;1-[4-[3-chloro-4-[4-[(2-chlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;ethane.

Molecular Properties

• Compound Name: sodium;1-[4-[3-chloro-4-[4-[(2-chlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;ethane
• PubChem CID: 144533271
• Molecular Formula: C32H33Cl2N2NaO4S
• Molecular Weight: 635.59 g/mol
• Exact Mass: 634.14
• IUPAC Name: sodium;1-[4-[3-chloro-4-[4-[(2-chlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;ethane
• SMILES: CC.CC.Cc1nsc(-c2ccc(-c3ccc(C4(C(=O)[O-])CC4)cc3)cc2Cl)c1NC(=O)OCc1ccccc1Cl.[Na+]
• InChI: InChI=1S/C28H22Cl2N2O4S.2C2H6.Na/c1-16-24(31-27(35)36-15-19-4-2-3-5-22(19)29)25(37-32-16)21-11-8-18(14-23(21)30)17-6-9-20(10-7-17)28(12-13-28)26(33)34;2*1-2;/h2-11,14H,12-13,15H2,1H3,(H,31,35)(H,33,34);2*1-2H3;/q;;;+1/p-1
• InChIKey: CBEGHYQLFJXNNL-UHFFFAOYSA-M
• XLogP: 5.68
• TPSA: 91.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	635.59
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of sodium;1-[4-[3-chloro-4-[4-[(2-chlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;ethane?

The IUPAC name of sodium;1-[4-[3-chloro-4-[4-[(2-chlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;ethane (CID 144533271) is sodium;1-[4-[3-chloro-4-[4-[(2-chlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;ethane.

What is the SMILES notation for sodium;1-[4-[3-chloro-4-[4-[(2-chlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;ethane?

The canonical SMILES for sodium;1-[4-[3-chloro-4-[4-[(2-chlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;ethane is CC.CC.Cc1nsc(-c2ccc(-c3ccc(C4(C(=O)[O-])CC4)cc3)cc2Cl)c1NC(=O)OCc1ccccc1Cl.[Na+].

What is the InChIKey of sodium;1-[4-[3-chloro-4-[4-[(2-chlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;ethane?

The InChIKey is CBEGHYQLFJXNNL-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H22Cl2N2O4S.2C2H6.Na/c1-16-24(31-27(35)36-15-19-4-2-3-5-22(19)29)25(37-32-16)21-11-8-18(14-23(21)30)17-6-9-20(10-7-17)28(12-13-28)26(33)34;2*1-2;/h2-11,14H,12-13,15H2,1H3,(H,31,35)(H,33,34);2*1-2H3;/q;;;+1/p-1.

What are the key properties of sodium;1-[4-[3-chloro-4-[4-[(2-chlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;ethane?

sodium;1-[4-[3-chloro-4-[4-[(2-chlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;ethane has a molecular weight of 635.59 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;1-[4-[3-chloro-4-[4-[(2-chlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;ethane is sourced from PubChem (CID 144533271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).