2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-cyclopropylacetamide

C13H16N4O3S — CID 64850895

IUPAC2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-cyclopropylacetamide
SMILESNc1ccc2[nH]cc(S(=O)(=O)NCC(=O)NC3CC3)c2c1
InChIInChI=1S/C13H16N4O3S/c14-8-1-4-11-10(5-8)12(6-15-11)21(19,20)16-7-13(18)17-9-2-3-9/h1,4-6,9,15-16H,2-3,7,14H2,(H,17,18)
InChIKeyOKJDKOMAIBKOOZ-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.31
Rot. Bonds5

About 2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-cyclopropylacetamide

2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-cyclopropylacetamide (PubChem CID 64850895) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-cyclopropylacetamide
PubChem CID64850895
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-cyclopropylacetamide
SMILESNc1ccc2[nH]cc(S(=O)(=O)NCC(=O)NC3CC3)c2c1
InChIInChI=1S/C13H16N4O3S/c14-8-1-4-11-10(5-8)12(6-15-11)21(19,20)16-7-13(18)17-9-2-3-9/h1,4-6,9,15-16H,2-3,7,14H2,(H,17,18)
InChIKeyOKJDKOMAIBKOOZ-UHFFFAOYSA-N
XLogP0.31
TPSA117.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-methylacetamide
CID 64851480
2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-propylacetamide
CID 64850893
5-amino-N-(3-hydroxypropyl)-1H-indole-3-sulfonamide
CID 64853230
5-amino-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-sulfonamide
CID 65103687
5-[(5-amino-1H-indol-3-yl)sulfonylamino]pentanamide
CID 106233539
5-amino-N-(cyclohex-3-en-1-ylmethyl)-1H-indole-3-sulfonamide
CID 64850708
5-amino-N-(oxan-2-ylmethyl)-1H-indole-3-sulfonamide
CID 64852852
5-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-indole-3-sulfonamide
CID 106242702
5-amino-N-[(5-chlorothiophen-2-yl)methyl]-1H-indole-3-sulfonamide
CID 64852859
6-amino-N-(cyclobutylmethyl)-1H-indole-3-sulfonamide
CID 66000332
3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 81466367
5-amino-N-(2-ethoxyethyl)-1H-indole-3-sulfonamide
CID 64852259

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-cyclopropylacetamide (CID 64850895) is 2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-cyclopropylacetamide is Nc1ccc2[nH]cc(S(=O)(=O)NCC(=O)NC3CC3)c2c1.
What is the InChIKey of 2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-cyclopropylacetamide?
The InChIKey is OKJDKOMAIBKOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c14-8-1-4-11-10(5-8)12(6-15-11)21(19,20)16-7-13(18)17-9-2-3-9/h1,4-6,9,15-16H,2-3,7,14H2,(H,17,18).
What are the key properties of 2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-cyclopropylacetamide?
2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-cyclopropylacetamide has a molecular weight of 308.36 g/mol, XLogP of 0.31, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 64850895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).