2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide

C27H30N2O5S — CID 43892499

IUPAC2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
SMILESCCOc1ccccc1N(CC(=O)NC1CC(C)(C)Oc2ccccc21)S(=O)(=O)c1ccccc1
InChIInChI=1S/C27H30N2O5S/c1-4-33-25-17-11-9-15-23(25)29(35(31,32)20-12-6-5-7-13-20)19-26(30)28-22-18-27(2,3)34-24-16-10-8-14-21(22)24/h5-17,22H,4,18-19H2,1-3H3,(H,28,30)
InChIKeyCYAASMKVZSVZDO-UHFFFAOYSA-N
MW494.61 g/mol
LogP4.70
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide

2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide (PubChem CID 43892499) has the molecular formula C27H30N2O5S and a molecular weight of 494.61 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
PubChem CID43892499
Molecular FormulaC27H30N2O5S
Molecular Weight494.61 g/mol
Exact Mass494.19
IUPAC Name2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
SMILESCCOc1ccccc1N(CC(=O)NC1CC(C)(C)Oc2ccccc21)S(=O)(=O)c1ccccc1
InChIInChI=1S/C27H30N2O5S/c1-4-33-25-17-11-9-15-23(25)29(35(31,32)20-12-6-5-7-13-20)19-26(30)28-22-18-27(2,3)34-24-16-10-8-14-21(22)24/h5-17,22H,4,18-19H2,1-3H3,(H,28,30)
InChIKeyCYAASMKVZSVZDO-UHFFFAOYSA-N
XLogP4.70
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.61
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 30243362
2-[benzenesulfonyl(methyl)amino]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 124569374
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43892687
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43892737
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43892128
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30203302
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43893109
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43893418
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43891889
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43892200
2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43894859
N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 30221696

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide (CID 43892499) is 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide is CCOc1ccccc1N(CC(=O)NC1CC(C)(C)Oc2ccccc21)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide?
The InChIKey is CYAASMKVZSVZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O5S/c1-4-33-25-17-11-9-15-23(25)29(35(31,32)20-12-6-5-7-13-20)19-26(30)28-22-18-27(2,3)34-24-16-10-8-14-21(22)24/h5-17,22H,4,18-19H2,1-3H3,(H,28,30).
What are the key properties of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide?
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide has a molecular weight of 494.61 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide is sourced from PubChem (CID 43892499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).