N-[2-[4-(ethylsulfonylamino)-3-methylanilino]-2-oxoethyl]adamantane-1-carboxamide

C22H31N3O4S — CID 55948833

IUPACN-[2-[4-(ethylsulfonylamino)-3-methylanilino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1C
InChIInChI=1S/C22H31N3O4S/c1-3-30(28,29)25-19-5-4-18(6-14(19)2)24-20(26)13-23-21(27)22-10-15-7-16(11-22)9-17(8-15)12-22/h4-6,15-17,25H,3,7-13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyQNOZYUSWSWICMK-UHFFFAOYSA-N
MW433.57 g/mol
LogP3.03
Rot. Bonds7

About N-[2-[4-(ethylsulfonylamino)-3-methylanilino]-2-oxoethyl]adamantane-1-carboxamide

N-[2-[4-(ethylsulfonylamino)-3-methylanilino]-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 55948833) has the molecular formula C22H31N3O4S and a molecular weight of 433.57 g/mol. Its IUPAC name is N-[2-[4-(ethylsulfonylamino)-3-methylanilino]-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(ethylsulfonylamino)-3-methylanilino]-2-oxoethyl]adamantane-1-carboxamide
PubChem CID55948833
Molecular FormulaC22H31N3O4S
Molecular Weight433.57 g/mol
Exact Mass433.20
IUPAC NameN-[2-[4-(ethylsulfonylamino)-3-methylanilino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1C
InChIInChI=1S/C22H31N3O4S/c1-3-30(28,29)25-19-5-4-18(6-14(19)2)24-20(26)13-23-21(27)22-10-15-7-16(11-22)9-17(8-15)12-22/h4-6,15-17,25H,3,7-13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyQNOZYUSWSWICMK-UHFFFAOYSA-N
XLogP3.03
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 119739287
2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide;hydrochloride
CID 119298074
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]adamantane-1-carboxamide
CID 38044635
N-[2-[3-[(2-fluorophenyl)sulfamoyl]anilino]-2-oxoethyl]adamantane-1-carboxamide
CID 4826830
1-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexane-1-carboxamide
CID 119298093
2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]acetamide
CID 119739337
3-(3,4-dimethylphenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]propanamide
CID 55982530
N-[4-(3-chloro-4-methylanilino)-4-oxobutyl]adamantane-1-carboxamide
CID 9395723
N-[4-(3-fluoro-4-methylanilino)-4-oxobutyl]adamantane-1-carboxamide
CID 9427529
N-[2-(2-ethoxyanilino)-2-oxoethyl]adamantane-1-carboxamide
CID 51185847
2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-methylpentanamide
CID 119739311
N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide
CID 18107080

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(ethylsulfonylamino)-3-methylanilino]-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[4-(ethylsulfonylamino)-3-methylanilino]-2-oxoethyl]adamantane-1-carboxamide (CID 55948833) is N-[2-[4-(ethylsulfonylamino)-3-methylanilino]-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[4-(ethylsulfonylamino)-3-methylanilino]-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[4-(ethylsulfonylamino)-3-methylanilino]-2-oxoethyl]adamantane-1-carboxamide is CCS(=O)(=O)Nc1ccc(NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1C.
What is the InChIKey of N-[2-[4-(ethylsulfonylamino)-3-methylanilino]-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is QNOZYUSWSWICMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4S/c1-3-30(28,29)25-19-5-4-18(6-14(19)2)24-20(26)13-23-21(27)22-10-15-7-16(11-22)9-17(8-15)12-22/h4-6,15-17,25H,3,7-13H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-[2-[4-(ethylsulfonylamino)-3-methylanilino]-2-oxoethyl]adamantane-1-carboxamide?
N-[2-[4-(ethylsulfonylamino)-3-methylanilino]-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 433.57 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(ethylsulfonylamino)-3-methylanilino]-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 55948833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).