5-chloro-N-[3-chloro-5-(1,3-dioxolan-2-yl)phenyl]-3-[(4-ethoxy-3-methoxyphenyl)-methylsulfamoyl]thiophene-2-carboxamide

C24H24Cl2N2O7S2 — CID 165130216

IUPAC5-chloro-N-[3-chloro-5-(1,3-dioxolan-2-yl)phenyl]-3-[(4-ethoxy-3-methoxyphenyl)-methylsulfamoyl]thiophene-2-carboxamide
SMILESCCOc1ccc(N(C)S(=O)(=O)c2cc(Cl)sc2C(=O)Nc2cc(Cl)cc(C3OCCO3)c2)cc1OC
InChIInChI=1S/C24H24Cl2N2O7S2/c1-4-33-18-6-5-17(12-19(18)32-3)28(2)37(30,31)20-13-21(26)36-22(20)23(29)27-16-10-14(9-15(25)11-16)24-34-7-8-35-24/h5-6,9-13,24H,4,7-8H2,1-3H3,(H,27,29)
InChIKeyPAZUJBZUWKVGSF-UHFFFAOYSA-N
MW587.50 g/mol
LogP5.59
Rot. Bonds9

About 5-chloro-N-[3-chloro-5-(1,3-dioxolan-2-yl)phenyl]-3-[(4-ethoxy-3-methoxyphenyl)-methylsulfamoyl]thiophene-2-carboxamide

5-chloro-N-[3-chloro-5-(1,3-dioxolan-2-yl)phenyl]-3-[(4-ethoxy-3-methoxyphenyl)-methylsulfamoyl]thiophene-2-carboxamide (PubChem CID 165130216) has the molecular formula C24H24Cl2N2O7S2 and a molecular weight of 587.50 g/mol. Its IUPAC name is 5-chloro-N-[3-chloro-5-(1,3-dioxolan-2-yl)phenyl]-3-[(4-ethoxy-3-methoxyphenyl)-methylsulfamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-chloro-5-(1,3-dioxolan-2-yl)phenyl]-3-[(4-ethoxy-3-methoxyphenyl)-methylsulfamoyl]thiophene-2-carboxamide
PubChem CID165130216
Molecular FormulaC24H24Cl2N2O7S2
Molecular Weight587.50 g/mol
Exact Mass586.04
IUPAC Name5-chloro-N-[3-chloro-5-(1,3-dioxolan-2-yl)phenyl]-3-[(4-ethoxy-3-methoxyphenyl)-methylsulfamoyl]thiophene-2-carboxamide
SMILESCCOc1ccc(N(C)S(=O)(=O)c2cc(Cl)sc2C(=O)Nc2cc(Cl)cc(C3OCCO3)c2)cc1OC
InChIInChI=1S/C24H24Cl2N2O7S2/c1-4-33-18-6-5-17(12-19(18)32-3)28(2)37(30,31)20-13-21(26)36-22(20)23(29)27-16-10-14(9-15(25)11-16)24-34-7-8-35-24/h5-6,9-13,24H,4,7-8H2,1-3H3,(H,27,29)
InChIKeyPAZUJBZUWKVGSF-UHFFFAOYSA-N
XLogP5.59
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.50
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-chloro-5-(1,3-dioxolan-2-yl)phenyl]-3-[(4-ethoxy-3-methoxyphenyl)-methylsulfamoyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-chloro-5-(1,3-dioxolan-2-yl)phenyl]-3-[(4-ethoxy-3-methoxyphenyl)-methylsulfamoyl]thiophene-2-carboxamide (CID 165130216) is 5-chloro-N-[3-chloro-5-(1,3-dioxolan-2-yl)phenyl]-3-[(4-ethoxy-3-methoxyphenyl)-methylsulfamoyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-chloro-5-(1,3-dioxolan-2-yl)phenyl]-3-[(4-ethoxy-3-methoxyphenyl)-methylsulfamoyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-chloro-5-(1,3-dioxolan-2-yl)phenyl]-3-[(4-ethoxy-3-methoxyphenyl)-methylsulfamoyl]thiophene-2-carboxamide is CCOc1ccc(N(C)S(=O)(=O)c2cc(Cl)sc2C(=O)Nc2cc(Cl)cc(C3OCCO3)c2)cc1OC.
What is the InChIKey of 5-chloro-N-[3-chloro-5-(1,3-dioxolan-2-yl)phenyl]-3-[(4-ethoxy-3-methoxyphenyl)-methylsulfamoyl]thiophene-2-carboxamide?
The InChIKey is PAZUJBZUWKVGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O7S2/c1-4-33-18-6-5-17(12-19(18)32-3)28(2)37(30,31)20-13-21(26)36-22(20)23(29)27-16-10-14(9-15(25)11-16)24-34-7-8-35-24/h5-6,9-13,24H,4,7-8H2,1-3H3,(H,27,29).
What are the key properties of 5-chloro-N-[3-chloro-5-(1,3-dioxolan-2-yl)phenyl]-3-[(4-ethoxy-3-methoxyphenyl)-methylsulfamoyl]thiophene-2-carboxamide?
5-chloro-N-[3-chloro-5-(1,3-dioxolan-2-yl)phenyl]-3-[(4-ethoxy-3-methoxyphenyl)-methylsulfamoyl]thiophene-2-carboxamide has a molecular weight of 587.50 g/mol, XLogP of 5.59, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-chloro-5-(1,3-dioxolan-2-yl)phenyl]-3-[(4-ethoxy-3-methoxyphenyl)-methylsulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 165130216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).