N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-(naphthalen-2-ylsulfinylamino)benzamide

C28H25N3O3S — CID 140999561

IUPACN-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-(naphthalen-2-ylsulfinylamino)benzamide
SMILESO=C(NC(CO)Cc1c[nH]c2ccccc12)c1cccc(NS(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C28H25N3O3S/c32-18-24(15-22-17-29-27-11-4-3-10-26(22)27)30-28(33)21-8-5-9-23(14-21)31-35(34)25-13-12-19-6-1-2-7-20(19)16-25/h1-14,16-17,24,29,31-32H,15,18H2,(H,30,33)
InChIKeyFSIFOYIVGIRDMZ-UHFFFAOYSA-N
MW483.59 g/mol
LogP4.79
Rot. Bonds8

About N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-(naphthalen-2-ylsulfinylamino)benzamide

N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-(naphthalen-2-ylsulfinylamino)benzamide (PubChem CID 140999561) has the molecular formula C28H25N3O3S and a molecular weight of 483.59 g/mol. Its IUPAC name is N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-(naphthalen-2-ylsulfinylamino)benzamide.

Molecular Properties

Compound NameN-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-(naphthalen-2-ylsulfinylamino)benzamide
PubChem CID140999561
Molecular FormulaC28H25N3O3S
Molecular Weight483.59 g/mol
Exact Mass483.16
IUPAC NameN-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-(naphthalen-2-ylsulfinylamino)benzamide
SMILESO=C(NC(CO)Cc1c[nH]c2ccccc12)c1cccc(NS(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C28H25N3O3S/c32-18-24(15-22-17-29-27-11-4-3-10-26(22)27)30-28(33)21-8-5-9-23(14-21)31-35(34)25-13-12-19-6-1-2-7-20(19)16-25/h1-14,16-17,24,29,31-32H,15,18H2,(H,30,33)
InChIKeyFSIFOYIVGIRDMZ-UHFFFAOYSA-N
XLogP4.79
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 54.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-hydroxybut-1-ynyl)-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
CID 74428987
3-[[benzyl(methyl)amino]methyl]-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
CID 71035632
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4-methyl-3-(3-propan-2-ylphenyl)benzamide
CID 58832177
9-[3-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamoyl]phenyl]non-8-ynoic acid
CID 25207554
N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5-dimethylthiophene-2-carboxamide
CID 124516062
(2S)-2-[[3-[[(1S)-1-carboxylato-2-(1H-indol-3-yl)ethyl]carbamoyl]benzoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 6999230
2-benzyl-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
CID 10716621
5-(3-acetylphenyl)-2-ethoxy-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
CID 71215129
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-methoxy-5-(3-methoxyphenyl)benzamide
CID 58831850
N-[(2R)-1-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-methylpiperidine-4-carboxamide
CID 10229437
N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 75515213
N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3,5-dimethyl-1H-indole-2-carboxamide
CID 70718086

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-(naphthalen-2-ylsulfinylamino)benzamide?
The IUPAC name of N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-(naphthalen-2-ylsulfinylamino)benzamide (CID 140999561) is N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-(naphthalen-2-ylsulfinylamino)benzamide.
What is the SMILES notation for N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-(naphthalen-2-ylsulfinylamino)benzamide?
The canonical SMILES for N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-(naphthalen-2-ylsulfinylamino)benzamide is O=C(NC(CO)Cc1c[nH]c2ccccc12)c1cccc(NS(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-(naphthalen-2-ylsulfinylamino)benzamide?
The InChIKey is FSIFOYIVGIRDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O3S/c32-18-24(15-22-17-29-27-11-4-3-10-26(22)27)30-28(33)21-8-5-9-23(14-21)31-35(34)25-13-12-19-6-1-2-7-20(19)16-25/h1-14,16-17,24,29,31-32H,15,18H2,(H,30,33).
What are the key properties of N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-(naphthalen-2-ylsulfinylamino)benzamide?
N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-(naphthalen-2-ylsulfinylamino)benzamide has a molecular weight of 483.59 g/mol, XLogP of 4.79, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-(naphthalen-2-ylsulfinylamino)benzamide is sourced from PubChem (CID 140999561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).