N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylpropylsulfonyl)propanamide

C18H28N2O4S — CID 87000636

IUPACN-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylpropylsulfonyl)propanamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)CCS(=O)(=O)CC(C)C
InChIInChI=1S/C18H28N2O4S/c1-5-15-8-6-7-9-16(15)19-17(21)12-20(4)18(22)10-11-25(23,24)13-14(2)3/h6-9,14H,5,10-13H2,1-4H3,(H,19,21)
InChIKeyKFAHJVWFFLTEFE-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.11
Rot. Bonds9

About N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylpropylsulfonyl)propanamide

N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylpropylsulfonyl)propanamide (PubChem CID 87000636) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylpropylsulfonyl)propanamide.

Molecular Properties

Compound NameN-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylpropylsulfonyl)propanamide
PubChem CID87000636
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC NameN-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylpropylsulfonyl)propanamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)CCS(=O)(=O)CC(C)C
InChIInChI=1S/C18H28N2O4S/c1-5-15-8-6-7-9-16(15)19-17(21)12-20(4)18(22)10-11-25(23,24)13-14(2)3/h6-9,14H,5,10-13H2,1-4H3,(H,19,21)
InChIKeyKFAHJVWFFLTEFE-UHFFFAOYSA-N
XLogP2.11
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-ethylanilino)-2-oxoethyl]-3-(2-fluorophenyl)-N-methylpropanamide
CID 51181026
N-(2-hydroxyphenyl)-3-(2-methylpropylsulfonyl)propanamide
CID 47038208
N-[2-(aminomethyl)phenyl]-4-(2-methylpropylsulfonyl)butanamide
CID 64698214
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-pyrazol-1-ylpropanamide
CID 86979939
N-(2-ethylphenyl)-2-[methyl-(2-phenoxyacetyl)amino]acetamide
CID 8699505
2-cyclopentyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 51146982
3-[4-(difluoromethoxy)phenyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 86922903
4-(5-chlorothiophen-2-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide
CID 51163475
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
CID 9335080
2-[[(2S)-2,4-dimethylpentyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 100703004
N-(2-ethylphenyl)-2-[methyl-[(4-phenoxyphenyl)carbamoyl]amino]acetamide
CID 55696777
2-(4-butylphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 46450100

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylpropylsulfonyl)propanamide?
The IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylpropylsulfonyl)propanamide (CID 87000636) is N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylpropylsulfonyl)propanamide.
What is the SMILES notation for N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylpropylsulfonyl)propanamide?
The canonical SMILES for N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylpropylsulfonyl)propanamide is CCc1ccccc1NC(=O)CN(C)C(=O)CCS(=O)(=O)CC(C)C.
What is the InChIKey of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylpropylsulfonyl)propanamide?
The InChIKey is KFAHJVWFFLTEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-5-15-8-6-7-9-16(15)19-17(21)12-20(4)18(22)10-11-25(23,24)13-14(2)3/h6-9,14H,5,10-13H2,1-4H3,(H,19,21).
What are the key properties of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylpropylsulfonyl)propanamide?
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylpropylsulfonyl)propanamide has a molecular weight of 368.50 g/mol, XLogP of 2.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylpropylsulfonyl)propanamide is sourced from PubChem (CID 87000636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).