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

C13H18N4O3S — CID 64850893

IUPAC2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-propylacetamide
SMILESCCCNC(=O)CNS(=O)(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C13H18N4O3S/c1-2-5-15-13(18)8-17-21(19,20)12-7-16-11-4-3-9(14)6-10(11)12/h3-4,6-7,16-17H,2,5,8,14H2,1H3,(H,15,18)
InChIKeyBLFBMLLKKUKAHI-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.55
Rot. Bonds6

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

2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-propylacetamide (PubChem CID 64850893) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-propylacetamide
PubChem CID64850893
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-propylacetamide
SMILESCCCNC(=O)CNS(=O)(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C13H18N4O3S/c1-2-5-15-13(18)8-17-21(19,20)12-7-16-11-4-3-9(14)6-10(11)12/h3-4,6-7,16-17H,2,5,8,14H2,1H3,(H,15,18)
InChIKeyBLFBMLLKKUKAHI-UHFFFAOYSA-N
XLogP0.55
TPSA117.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.55
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
1-[(5-amino-1H-indol-3-yl)sulfonyl]-3-propylurea
CID 116645872
2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-cyclopropylacetamide
CID 64850895
5-amino-N-(3-hydroxypropyl)-1H-indole-3-sulfonamide
CID 64853230
5-amino-N-[2-oxo-2-(propylamino)ethyl]-1H-indole-3-carboxamide
CID 63116906
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-(2-ethoxyethyl)-1H-indole-3-sulfonamide
CID 64852259
5-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-indole-3-sulfonamide
CID 106242702
5-amino-N-(2-prop-2-enylsulfanylethyl)-1H-indole-3-sulfonamide
CID 106425405
2-[(4-amino-2-methoxyphenyl)sulfonylamino]-N-ethylacetamide
CID 43566769
2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-propylacetamide
CID 43567163

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-propylacetamide?
The IUPAC name of 2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-propylacetamide (CID 64850893) is 2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-propylacetamide?
The canonical SMILES for 2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-propylacetamide is CCCNC(=O)CNS(=O)(=O)c1c[nH]c2ccc(N)cc12.
What is the InChIKey of 2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-propylacetamide?
The InChIKey is BLFBMLLKKUKAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-2-5-15-13(18)8-17-21(19,20)12-7-16-11-4-3-9(14)6-10(11)12/h3-4,6-7,16-17H,2,5,8,14H2,1H3,(H,15,18).
What are the key properties of 2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-propylacetamide?
2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-propylacetamide has a molecular weight of 310.38 g/mol, XLogP of 0.55, 6 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-propylacetamide is sourced from PubChem (CID 64850893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).