N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-1-ethylsulfonylindole-6-carboxamide

C19H24N4O4S — CID 118896169

IUPACN-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-1-ethylsulfonylindole-6-carboxamide
SMILESCCS(=O)(=O)n1ccc2ccc(C(=O)NC(CC(C)C)C(=O)NCC#N)cc21
InChIInChI=1S/C19H24N4O4S/c1-4-28(26,27)23-10-7-14-5-6-15(12-17(14)23)18(24)22-16(11-13(2)3)19(25)21-9-8-20/h5-7,10,12-13,16H,4,9,11H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyDSTJJQWOQJAGCL-UHFFFAOYSA-N
MW404.49 g/mol
LogP1.62
Rot. Bonds8

About N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-1-ethylsulfonylindole-6-carboxamide

N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-1-ethylsulfonylindole-6-carboxamide (PubChem CID 118896169) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-1-ethylsulfonylindole-6-carboxamide.

Molecular Properties

Compound NameN-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-1-ethylsulfonylindole-6-carboxamide
PubChem CID118896169
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC NameN-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-1-ethylsulfonylindole-6-carboxamide
SMILESCCS(=O)(=O)n1ccc2ccc(C(=O)NC(CC(C)C)C(=O)NCC#N)cc21
InChIInChI=1S/C19H24N4O4S/c1-4-28(26,27)23-10-7-14-5-6-15(12-17(14)23)18(24)22-16(11-13(2)3)19(25)21-9-8-20/h5-7,10,12-13,16H,4,9,11H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyDSTJJQWOQJAGCL-UHFFFAOYSA-N
XLogP1.62
TPSA121.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-1-ethylsulfonylindole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-hydroxybenzamide
CID 18186637
4-amino-N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 57003366
N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-1H-indole-5-carboxamide
CID 59878895
4-methyl-2-[(1-methylindole-6-carbonyl)amino]pentanoic acid
CID 110210359
3-(aminomethyl)-N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 85049886
N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 87913020
N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 86605303
N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 18186666
1-N,4-N-bis[(2S)-4-methyl-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]benzene-1,4-dicarboxamide
CID 132534144
N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-[3-(dimethylamino)phenoxy]benzamide
CID 87952895
N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-2,3,4-trifluorobenzamide
CID 127054399
N-[(2R)-3-benzylsulfonyl-1-(cyanomethylamino)-1-oxopropan-2-yl]benzamide
CID 59923435

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-1-ethylsulfonylindole-6-carboxamide?
The IUPAC name of N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-1-ethylsulfonylindole-6-carboxamide (CID 118896169) is N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-1-ethylsulfonylindole-6-carboxamide.
What is the SMILES notation for N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-1-ethylsulfonylindole-6-carboxamide?
The canonical SMILES for N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-1-ethylsulfonylindole-6-carboxamide is CCS(=O)(=O)n1ccc2ccc(C(=O)NC(CC(C)C)C(=O)NCC#N)cc21.
What is the InChIKey of N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-1-ethylsulfonylindole-6-carboxamide?
The InChIKey is DSTJJQWOQJAGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-4-28(26,27)23-10-7-14-5-6-15(12-17(14)23)18(24)22-16(11-13(2)3)19(25)21-9-8-20/h5-7,10,12-13,16H,4,9,11H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-1-ethylsulfonylindole-6-carboxamide?
N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-1-ethylsulfonylindole-6-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-1-ethylsulfonylindole-6-carboxamide is sourced from PubChem (CID 118896169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).