4-(2-cyanopyrrol-1-yl)-2-(1H-indol-4-ylsulfonylamino)-N,N-dimethylbutanamide

C19H21N5O3S — CID 134152132

IUPAC4-(2-cyanopyrrol-1-yl)-2-(1H-indol-4-ylsulfonylamino)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C19H21N5O3S/c1-23(2)19(25)17(9-12-24-11-4-5-14(24)13-20)22-28(26,27)18-7-3-6-16-15(18)8-10-21-16/h3-8,10-11,17,21-22H,9,12H2,1-2H3
InChIKeyLTSLRKJOWXBKQE-UHFFFAOYSA-N
MW399.48 g/mol
LogP1.67
Rot. Bonds7

About 4-(2-cyanopyrrol-1-yl)-2-(1H-indol-4-ylsulfonylamino)-N,N-dimethylbutanamide

4-(2-cyanopyrrol-1-yl)-2-(1H-indol-4-ylsulfonylamino)-N,N-dimethylbutanamide (PubChem CID 134152132) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 4-(2-cyanopyrrol-1-yl)-2-(1H-indol-4-ylsulfonylamino)-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-(2-cyanopyrrol-1-yl)-2-(1H-indol-4-ylsulfonylamino)-N,N-dimethylbutanamide
PubChem CID134152132
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name4-(2-cyanopyrrol-1-yl)-2-(1H-indol-4-ylsulfonylamino)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C19H21N5O3S/c1-23(2)19(25)17(9-12-24-11-4-5-14(24)13-20)22-28(26,27)18-7-3-6-16-15(18)8-10-21-16/h3-8,10-11,17,21-22H,9,12H2,1-2H3
InChIKeyLTSLRKJOWXBKQE-UHFFFAOYSA-N
XLogP1.67
TPSA110.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanopyrrol-1-yl)-2-(1H-indol-4-ylsulfonylamino)-N,N-dimethylbutanamide?
The IUPAC name of 4-(2-cyanopyrrol-1-yl)-2-(1H-indol-4-ylsulfonylamino)-N,N-dimethylbutanamide (CID 134152132) is 4-(2-cyanopyrrol-1-yl)-2-(1H-indol-4-ylsulfonylamino)-N,N-dimethylbutanamide.
What is the SMILES notation for 4-(2-cyanopyrrol-1-yl)-2-(1H-indol-4-ylsulfonylamino)-N,N-dimethylbutanamide?
The canonical SMILES for 4-(2-cyanopyrrol-1-yl)-2-(1H-indol-4-ylsulfonylamino)-N,N-dimethylbutanamide is CN(C)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1cccc2[nH]ccc12.
What is the InChIKey of 4-(2-cyanopyrrol-1-yl)-2-(1H-indol-4-ylsulfonylamino)-N,N-dimethylbutanamide?
The InChIKey is LTSLRKJOWXBKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-23(2)19(25)17(9-12-24-11-4-5-14(24)13-20)22-28(26,27)18-7-3-6-16-15(18)8-10-21-16/h3-8,10-11,17,21-22H,9,12H2,1-2H3.
What are the key properties of 4-(2-cyanopyrrol-1-yl)-2-(1H-indol-4-ylsulfonylamino)-N,N-dimethylbutanamide?
4-(2-cyanopyrrol-1-yl)-2-(1H-indol-4-ylsulfonylamino)-N,N-dimethylbutanamide has a molecular weight of 399.48 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanopyrrol-1-yl)-2-(1H-indol-4-ylsulfonylamino)-N,N-dimethylbutanamide is sourced from PubChem (CID 134152132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).