N-[3-(4-cyanophenyl)-1-propan-2-ylindol-6-yl]thiophene-2-sulfonamide

C22H19N3O2S2 — CID 67101302

IUPACN-[3-(4-cyanophenyl)-1-propan-2-ylindol-6-yl]thiophene-2-sulfonamide
SMILESCC(C)n1cc(-c2ccc(C#N)cc2)c2ccc(NS(=O)(=O)c3cccs3)cc21
InChIInChI=1S/C22H19N3O2S2/c1-15(2)25-14-20(17-7-5-16(13-23)6-8-17)19-10-9-18(12-21(19)25)24-29(26,27)22-4-3-11-28-22/h3-12,14-15,24H,1-2H3
InChIKeyKNZFXNQYAWONBZ-UHFFFAOYSA-N
MW421.55 g/mol
LogP5.62
Rot. Bonds5

About N-[3-(4-cyanophenyl)-1-propan-2-ylindol-6-yl]thiophene-2-sulfonamide

N-[3-(4-cyanophenyl)-1-propan-2-ylindol-6-yl]thiophene-2-sulfonamide (PubChem CID 67101302) has the molecular formula C22H19N3O2S2 and a molecular weight of 421.55 g/mol. Its IUPAC name is N-[3-(4-cyanophenyl)-1-propan-2-ylindol-6-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-cyanophenyl)-1-propan-2-ylindol-6-yl]thiophene-2-sulfonamide
PubChem CID67101302
Molecular FormulaC22H19N3O2S2
Molecular Weight421.55 g/mol
Exact Mass421.09
IUPAC NameN-[3-(4-cyanophenyl)-1-propan-2-ylindol-6-yl]thiophene-2-sulfonamide
SMILESCC(C)n1cc(-c2ccc(C#N)cc2)c2ccc(NS(=O)(=O)c3cccs3)cc21
InChIInChI=1S/C22H19N3O2S2/c1-15(2)25-14-20(17-7-5-16(13-23)6-8-17)19-10-9-18(12-21(19)25)24-29(26,27)22-4-3-11-28-22/h3-12,14-15,24H,1-2H3
InChIKeyKNZFXNQYAWONBZ-UHFFFAOYSA-N
XLogP5.62
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.55
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-cyanophenyl)-1-(1-methoxypropan-2-yl)indol-6-yl]methanesulfonamide
CID 67101206
N-[3-(4-cyanophenyl)-1-(dicyclopropylmethyl)indol-6-yl]methanesulfonamide
CID 57442256
N-[3-(5-cyanothiophen-3-yl)-1-propan-2-ylindol-6-yl]methanesulfonamide
CID 67101494
N-[3-(4-nitrophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
CID 67101226
N-[3-(4-formylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
CID 86628684
methyl 4-[6-(methanesulfonamido)-1-propan-2-ylindol-3-yl]benzoate
CID 67101095
N-[3-(4-cyano-3,5-difluorophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
CID 24739670
N-[(4-cyanophenyl)methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 46591163
N-(3-acetyl-1,2-dihydroxyindol-6-yl)thiophene-2-sulfonamide
CID 10959108
N-[3-(3-formylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
CID 87269312
N-[3-(6-chloro-3-pyridinyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
CID 24740150
N-(4-cyanophenyl)-2-thiophen-2-ylsulfonylpropanamide
CID 64690575

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyanophenyl)-1-propan-2-ylindol-6-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(4-cyanophenyl)-1-propan-2-ylindol-6-yl]thiophene-2-sulfonamide (CID 67101302) is N-[3-(4-cyanophenyl)-1-propan-2-ylindol-6-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(4-cyanophenyl)-1-propan-2-ylindol-6-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(4-cyanophenyl)-1-propan-2-ylindol-6-yl]thiophene-2-sulfonamide is CC(C)n1cc(-c2ccc(C#N)cc2)c2ccc(NS(=O)(=O)c3cccs3)cc21.
What is the InChIKey of N-[3-(4-cyanophenyl)-1-propan-2-ylindol-6-yl]thiophene-2-sulfonamide?
The InChIKey is KNZFXNQYAWONBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S2/c1-15(2)25-14-20(17-7-5-16(13-23)6-8-17)19-10-9-18(12-21(19)25)24-29(26,27)22-4-3-11-28-22/h3-12,14-15,24H,1-2H3.
What are the key properties of N-[3-(4-cyanophenyl)-1-propan-2-ylindol-6-yl]thiophene-2-sulfonamide?
N-[3-(4-cyanophenyl)-1-propan-2-ylindol-6-yl]thiophene-2-sulfonamide has a molecular weight of 421.55 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyanophenyl)-1-propan-2-ylindol-6-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 67101302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).