2-[5-[1-(5-aminopentyl)-2-phenylindole-6-carbonyl]-2-phenylthiophen-3-yl]-N-hydroxyacetamide

C32H31N3O3S — CID 25221638

IUPAC2-[5-[1-(5-aminopentyl)-2-phenylindole-6-carbonyl]-2-phenylthiophen-3-yl]-N-hydroxyacetamide
SMILESNCCCCCn1c(-c2ccccc2)cc2ccc(C(=O)c3cc(CC(=O)NO)c(-c4ccccc4)s3)cc21
InChIInChI=1S/C32H31N3O3S/c33-16-8-3-9-17-35-27(22-10-4-1-5-11-22)18-24-14-15-25(19-28(24)35)31(37)29-20-26(21-30(36)34-38)32(39-29)23-12-6-2-7-13-23/h1-2,4-7,10-15,18-20,38H,3,8-9,16-17,21,33H2,(H,34,36)
InChIKeyXLOVBSNNECCILX-UHFFFAOYSA-N
MW537.69 g/mol
LogP6.44
Rot. Bonds11

About 2-[5-[1-(5-aminopentyl)-2-phenylindole-6-carbonyl]-2-phenylthiophen-3-yl]-N-hydroxyacetamide

2-[5-[1-(5-aminopentyl)-2-phenylindole-6-carbonyl]-2-phenylthiophen-3-yl]-N-hydroxyacetamide (PubChem CID 25221638) has the molecular formula C32H31N3O3S and a molecular weight of 537.69 g/mol. Its IUPAC name is 2-[5-[1-(5-aminopentyl)-2-phenylindole-6-carbonyl]-2-phenylthiophen-3-yl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[5-[1-(5-aminopentyl)-2-phenylindole-6-carbonyl]-2-phenylthiophen-3-yl]-N-hydroxyacetamide
PubChem CID25221638
Molecular FormulaC32H31N3O3S
Molecular Weight537.69 g/mol
Exact Mass537.21
IUPAC Name2-[5-[1-(5-aminopentyl)-2-phenylindole-6-carbonyl]-2-phenylthiophen-3-yl]-N-hydroxyacetamide
SMILESNCCCCCn1c(-c2ccccc2)cc2ccc(C(=O)c3cc(CC(=O)NO)c(-c4ccccc4)s3)cc21
InChIInChI=1S/C32H31N3O3S/c33-16-8-3-9-17-35-27(22-10-4-1-5-11-22)18-24-14-15-25(19-28(24)35)31(37)29-20-26(21-30(36)34-38)32(39-29)23-12-6-2-7-13-23/h1-2,4-7,10-15,18-20,38H,3,8-9,16-17,21,33H2,(H,34,36)
InChIKeyXLOVBSNNECCILX-UHFFFAOYSA-N
XLogP6.44
TPSA97.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.69
LogP ≤ 56.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[5-[1-(4-aminobutyl)-2-phenylindole-6-carbonyl]-2-(3-hydroxyphenyl)thiophen-3-yl]-N-hydroxyacetamide
CID 25221193
2-[5-[1-(4-aminobutyl)-3-fluoro-2-phenylindole-6-carbonyl]-2-(3-aminophenyl)thiophen-3-yl]-N-hydroxyacetamide
CID 57335141
ethyl 2-[2-bromo-5-[1-[4-(1,3-dioxoisoindol-2-yl)butyl]-2-phenylindole-6-carbonyl]thiophen-3-yl]acetate
CID 67502223
benzyl 4-[1-[4-(1,3-dioxoisoindol-2-yl)butyl]-6-[4-(2-ethoxy-2-oxoethyl)-5-(3-hydroxyphenyl)thiophene-2-carbonyl]indol-2-yl]benzoate
CID 67497144
N-(aminomethyl)-4-[1-(aminomethyl)-6-[(Z)-N-hydroxy-C-[4-[2-(hydroxyamino)-2-oxoethyl]-5-(3-hydroxyphenyl)thiophen-2-yl]carbonimidoyl]indol-2-yl]-N-methylbenzamide
CID 89467706
tert-butyl N-[4-[2-phenyl-6-(5-phenylthiophene-2-carbonyl)indol-1-yl]butyl]carbamate
CID 173158297
1-phenyl-3-(2-phenylindol-1-yl)propan-1-one
CID 151018616
4-(2,5-diphenylpyrrol-1-yl)-N-hydroxybutanamide
CID 155384826
1-pentyl-2-phenylindole
CID 54214068
N-hydroxy-2-phenyl-1-propan-2-ylindole-6-carboxamide
CID 146604283
methyl 2-carbamoyl-1-[6-(hydroxyamino)-6-oxohexyl]-5-phenylpyrrole-3-carboxylate
CID 140530525
3-(4-aminobutyl)-4-(4-phenylphenyl)-1,3-thiazol-2-one
CID 82027928

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(5-aminopentyl)-2-phenylindole-6-carbonyl]-2-phenylthiophen-3-yl]-N-hydroxyacetamide?
The IUPAC name of 2-[5-[1-(5-aminopentyl)-2-phenylindole-6-carbonyl]-2-phenylthiophen-3-yl]-N-hydroxyacetamide (CID 25221638) is 2-[5-[1-(5-aminopentyl)-2-phenylindole-6-carbonyl]-2-phenylthiophen-3-yl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[5-[1-(5-aminopentyl)-2-phenylindole-6-carbonyl]-2-phenylthiophen-3-yl]-N-hydroxyacetamide?
The canonical SMILES for 2-[5-[1-(5-aminopentyl)-2-phenylindole-6-carbonyl]-2-phenylthiophen-3-yl]-N-hydroxyacetamide is NCCCCCn1c(-c2ccccc2)cc2ccc(C(=O)c3cc(CC(=O)NO)c(-c4ccccc4)s3)cc21.
What is the InChIKey of 2-[5-[1-(5-aminopentyl)-2-phenylindole-6-carbonyl]-2-phenylthiophen-3-yl]-N-hydroxyacetamide?
The InChIKey is XLOVBSNNECCILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3O3S/c33-16-8-3-9-17-35-27(22-10-4-1-5-11-22)18-24-14-15-25(19-28(24)35)31(37)29-20-26(21-30(36)34-38)32(39-29)23-12-6-2-7-13-23/h1-2,4-7,10-15,18-20,38H,3,8-9,16-17,21,33H2,(H,34,36).
What are the key properties of 2-[5-[1-(5-aminopentyl)-2-phenylindole-6-carbonyl]-2-phenylthiophen-3-yl]-N-hydroxyacetamide?
2-[5-[1-(5-aminopentyl)-2-phenylindole-6-carbonyl]-2-phenylthiophen-3-yl]-N-hydroxyacetamide has a molecular weight of 537.69 g/mol, XLogP of 6.44, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(5-aminopentyl)-2-phenylindole-6-carbonyl]-2-phenylthiophen-3-yl]-N-hydroxyacetamide is sourced from PubChem (CID 25221638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).