N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[(1R)-1-[4-(cyclopropylsulfamoyl)phenyl]-2-hydroxyethyl]-1-(2-fluoroethyl)indole-5-carboxamide

C30H28ClF4N3O4S — CID 142512755

IUPACN-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[(1R)-1-[4-(cyclopropylsulfamoyl)phenyl]-2-hydroxyethyl]-1-(2-fluoroethyl)indole-5-carboxamide
SMILESO=C(c1ccc2c(ccn2CCF)c1)N(Cc1ccc(Cl)cc1C(F)(F)F)[C@@H](CO)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C30H28ClF4N3O4S/c31-23-5-1-22(26(16-23)30(33,34)35)17-38(29(40)21-4-10-27-20(15-21)11-13-37(27)14-12-32)28(18-39)19-2-8-25(9-3-19)43(41,42)36-24-6-7-24/h1-5,8-11,13,15-16,24,28,36,39H,6-7,12,14,17-18H2/t28-/m0/s1
InChIKeyBZZIXGSIHFRRLX-NDEPHWFRSA-N
MW638.08 g/mol
LogP6.10
Rot. Bonds11

About N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[(1R)-1-[4-(cyclopropylsulfamoyl)phenyl]-2-hydroxyethyl]-1-(2-fluoroethyl)indole-5-carboxamide

N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[(1R)-1-[4-(cyclopropylsulfamoyl)phenyl]-2-hydroxyethyl]-1-(2-fluoroethyl)indole-5-carboxamide (PubChem CID 142512755) has the molecular formula C30H28ClF4N3O4S and a molecular weight of 638.08 g/mol. Its IUPAC name is N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[(1R)-1-[4-(cyclopropylsulfamoyl)phenyl]-2-hydroxyethyl]-1-(2-fluoroethyl)indole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[(1R)-1-[4-(cyclopropylsulfamoyl)phenyl]-2-hydroxyethyl]-1-(2-fluoroethyl)indole-5-carboxamide
PubChem CID142512755
Molecular FormulaC30H28ClF4N3O4S
Molecular Weight638.08 g/mol
Exact Mass637.14
IUPAC NameN-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[(1R)-1-[4-(cyclopropylsulfamoyl)phenyl]-2-hydroxyethyl]-1-(2-fluoroethyl)indole-5-carboxamide
SMILESO=C(c1ccc2c(ccn2CCF)c1)N(Cc1ccc(Cl)cc1C(F)(F)F)[C@@H](CO)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C30H28ClF4N3O4S/c31-23-5-1-22(26(16-23)30(33,34)35)17-38(29(40)21-4-10-27-20(15-21)11-13-37(27)14-12-32)28(18-39)19-2-8-25(9-3-19)43(41,42)36-24-6-7-24/h1-5,8-11,13,15-16,24,28,36,39H,6-7,12,14,17-18H2/t28-/m0/s1
InChIKeyBZZIXGSIHFRRLX-NDEPHWFRSA-N
XLogP6.10
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.08
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[(1R)-1-[4-(cyclopropylsulfamoyl)phenyl]-2-hydroxyethyl]-1-(2-fluoroethyl)indole-5-carboxamide?
The IUPAC name of N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[(1R)-1-[4-(cyclopropylsulfamoyl)phenyl]-2-hydroxyethyl]-1-(2-fluoroethyl)indole-5-carboxamide (CID 142512755) is N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[(1R)-1-[4-(cyclopropylsulfamoyl)phenyl]-2-hydroxyethyl]-1-(2-fluoroethyl)indole-5-carboxamide.
What is the SMILES notation for N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[(1R)-1-[4-(cyclopropylsulfamoyl)phenyl]-2-hydroxyethyl]-1-(2-fluoroethyl)indole-5-carboxamide?
The canonical SMILES for N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[(1R)-1-[4-(cyclopropylsulfamoyl)phenyl]-2-hydroxyethyl]-1-(2-fluoroethyl)indole-5-carboxamide is O=C(c1ccc2c(ccn2CCF)c1)N(Cc1ccc(Cl)cc1C(F)(F)F)[C@@H](CO)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[(1R)-1-[4-(cyclopropylsulfamoyl)phenyl]-2-hydroxyethyl]-1-(2-fluoroethyl)indole-5-carboxamide?
The InChIKey is BZZIXGSIHFRRLX-NDEPHWFRSA-N. The full InChI is InChI=1S/C30H28ClF4N3O4S/c31-23-5-1-22(26(16-23)30(33,34)35)17-38(29(40)21-4-10-27-20(15-21)11-13-37(27)14-12-32)28(18-39)19-2-8-25(9-3-19)43(41,42)36-24-6-7-24/h1-5,8-11,13,15-16,24,28,36,39H,6-7,12,14,17-18H2/t28-/m0/s1.
What are the key properties of N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[(1R)-1-[4-(cyclopropylsulfamoyl)phenyl]-2-hydroxyethyl]-1-(2-fluoroethyl)indole-5-carboxamide?
N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[(1R)-1-[4-(cyclopropylsulfamoyl)phenyl]-2-hydroxyethyl]-1-(2-fluoroethyl)indole-5-carboxamide has a molecular weight of 638.08 g/mol, XLogP of 6.10, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[(1R)-1-[4-(cyclopropylsulfamoyl)phenyl]-2-hydroxyethyl]-1-(2-fluoroethyl)indole-5-carboxamide is sourced from PubChem (CID 142512755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).