3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide

C24H26N4O3S — CID 59426164

IUPAC3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide
SMILESCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(C(=O)NCC3CC3)cc21
InChIInChI=1S/C24H26N4O3S/c1-3-28-22-13-18(24(29)26-15-16-5-6-16)9-12-20(22)21(14-25)23(28)17-7-10-19(11-8-17)27-32(30,31)4-2/h7-13,16,27H,3-6,15H2,1-2H3,(H,26,29)
InChIKeyUCTIWINSOVPYON-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.10
Rot. Bonds8

About 3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide

3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide (PubChem CID 59426164) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is 3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide.

Molecular Properties

Compound Name3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide
PubChem CID59426164
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC Name3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide
SMILESCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(C(=O)NCC3CC3)cc21
InChIInChI=1S/C24H26N4O3S/c1-3-28-22-13-18(24(29)26-15-16-5-6-16)9-12-20(22)21(14-25)23(28)17-7-10-19(11-8-17)27-32(30,31)4-2/h7-13,16,27H,3-6,15H2,1-2H3,(H,26,29)
InChIKeyUCTIWINSOVPYON-UHFFFAOYSA-N
XLogP4.10
TPSA103.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide?
The IUPAC name of 3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide (CID 59426164) is 3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide.
What is the SMILES notation for 3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide?
The canonical SMILES for 3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide is CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(C(=O)NCC3CC3)cc21.
What is the InChIKey of 3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide?
The InChIKey is UCTIWINSOVPYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-3-28-22-13-18(24(29)26-15-16-5-6-16)9-12-20(22)21(14-25)23(28)17-7-10-19(11-8-17)27-32(30,31)4-2/h7-13,16,27H,3-6,15H2,1-2H3,(H,26,29).
What are the key properties of 3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide?
3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide has a molecular weight of 450.56 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide is sourced from PubChem (CID 59426164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).