N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C23H23N3O3S2 — CID 42886694

IUPACN-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NCC(c1ccccc1)c1c[nH]c2ccccc12)S(=O)(=O)c1cccs1
InChIInChI=1S/C23H23N3O3S2/c1-26(31(28,29)23-12-7-13-30-23)16-22(27)25-14-19(17-8-3-2-4-9-17)20-15-24-21-11-6-5-10-18(20)21/h2-13,15,19,24H,14,16H2,1H3,(H,25,27)
InChIKeyRVEATARQWLSZMU-UHFFFAOYSA-N
MW453.59 g/mol
LogP3.80
Rot. Bonds8

About N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 42886694) has the molecular formula C23H23N3O3S2 and a molecular weight of 453.59 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID42886694
Molecular FormulaC23H23N3O3S2
Molecular Weight453.59 g/mol
Exact Mass453.12
IUPAC NameN-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NCC(c1ccccc1)c1c[nH]c2ccccc12)S(=O)(=O)c1cccs1
InChIInChI=1S/C23H23N3O3S2/c1-26(31(28,29)23-12-7-13-30-23)16-22(27)25-14-19(17-8-3-2-4-9-17)20-15-24-21-11-6-5-10-18(20)21/h2-13,15,19,24H,14,16H2,1H3,(H,25,27)
InChIKeyRVEATARQWLSZMU-UHFFFAOYSA-N
XLogP3.80
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxypropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 43418420
N-[2-(1H-indol-3-yl)-2-phenylethyl]thiophene-2-carboxamide
CID 4880396
N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115612731
N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-oxo-5-thiophen-2-ylpentanamide
CID 24666522
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide
CID 7917911
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(1R)-1-phenylethyl]acetamide
CID 7917913
N-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide
CID 24599762
N-[2-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 60519954
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 42904642
2-(dipropylamino)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 43061749
N-(2-hydroxy-2-methylpropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 65109706
2-[cycloheptyl(methyl)amino]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 16577880

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 42886694) is N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is CN(CC(=O)NCC(c1ccccc1)c1c[nH]c2ccccc12)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is RVEATARQWLSZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S2/c1-26(31(28,29)23-12-7-13-30-23)16-22(27)25-14-19(17-8-3-2-4-9-17)20-15-24-21-11-6-5-10-18(20)21/h2-13,15,19,24H,14,16H2,1H3,(H,25,27).
What are the key properties of N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 453.59 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 42886694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).