N-[2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethylamino]-2-oxoethyl]-2-ethoxybenzamide

C21H25N3O5S — CID 55662640

IUPACN-[2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethylamino]-2-oxoethyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NCCS(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C21H25N3O5S/c1-2-29-19-10-6-4-8-17(19)21(26)23-15-20(25)22-12-14-30(27,28)24-13-11-16-7-3-5-9-18(16)24/h3-10H,2,11-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyRLKRPZAGFOWBKM-UHFFFAOYSA-N
MW431.51 g/mol
LogP1.32
Rot. Bonds9

About N-[2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethylamino]-2-oxoethyl]-2-ethoxybenzamide

N-[2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethylamino]-2-oxoethyl]-2-ethoxybenzamide (PubChem CID 55662640) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is N-[2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethylamino]-2-oxoethyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethylamino]-2-oxoethyl]-2-ethoxybenzamide
PubChem CID55662640
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC NameN-[2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethylamino]-2-oxoethyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NCCS(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C21H25N3O5S/c1-2-29-19-10-6-4-8-17(19)21(26)23-15-20(25)22-12-14-30(27,28)24-13-11-16-7-3-5-9-18(16)24/h3-10H,2,11-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyRLKRPZAGFOWBKM-UHFFFAOYSA-N
XLogP1.32
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]octanamide
CID 55662696
N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide
CID 9159803
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methoxypropyl)propanamide
CID 110343036
N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 46461439
1-(2,6-diethylphenyl)-3-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]urea
CID 55696623
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-ethoxybenzamide
CID 51160741
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-(2,5-dimethylphenoxy)pentanamide
CID 60584916
2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
CID 43387480
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55662571
5-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide
CID 9224536
N-[2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-ethoxybenzamide
CID 126768533
2-ethoxy-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 24551423

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethylamino]-2-oxoethyl]-2-ethoxybenzamide?
The IUPAC name of N-[2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethylamino]-2-oxoethyl]-2-ethoxybenzamide (CID 55662640) is N-[2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethylamino]-2-oxoethyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethylamino]-2-oxoethyl]-2-ethoxybenzamide?
The canonical SMILES for N-[2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethylamino]-2-oxoethyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCC(=O)NCCS(=O)(=O)N1CCc2ccccc21.
What is the InChIKey of N-[2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethylamino]-2-oxoethyl]-2-ethoxybenzamide?
The InChIKey is RLKRPZAGFOWBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-2-29-19-10-6-4-8-17(19)21(26)23-15-20(25)22-12-14-30(27,28)24-13-11-16-7-3-5-9-18(16)24/h3-10H,2,11-15H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethylamino]-2-oxoethyl]-2-ethoxybenzamide?
N-[2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethylamino]-2-oxoethyl]-2-ethoxybenzamide has a molecular weight of 431.51 g/mol, XLogP of 1.32, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethylamino]-2-oxoethyl]-2-ethoxybenzamide is sourced from PubChem (CID 55662640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).