N-(2-ethylhexyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide

C19H32N2O4S — CID 133185231

IUPACN-(2-ethylhexyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILESCCCCC(CC)CNC(=O)C(C)N(c1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C19H32N2O4S/c1-6-8-9-16(7-2)14-20-19(22)15(3)21(26(5,23)24)17-10-12-18(25-4)13-11-17/h10-13,15-16H,6-9,14H2,1-5H3,(H,20,22)
InChIKeyGZTXCTPMYFJUOY-UHFFFAOYSA-N
MW384.54 g/mol
LogP3.18
Rot. Bonds11

About N-(2-ethylhexyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide

N-(2-ethylhexyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide (PubChem CID 133185231) has the molecular formula C19H32N2O4S and a molecular weight of 384.54 g/mol. Its IUPAC name is N-(2-ethylhexyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
PubChem CID133185231
Molecular FormulaC19H32N2O4S
Molecular Weight384.54 g/mol
Exact Mass384.21
IUPAC NameN-(2-ethylhexyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILESCCCCC(CC)CNC(=O)C(C)N(c1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C19H32N2O4S/c1-6-8-9-16(7-2)14-20-19(22)15(3)21(26(5,23)24)17-10-12-18(25-4)13-11-17/h10-13,15-16H,6-9,14H2,1-5H3,(H,20,22)
InChIKeyGZTXCTPMYFJUOY-UHFFFAOYSA-N
XLogP3.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.54
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2S)-2-ethylhexyl]propanamide
CID 125065052
(2R)-N-(3-ethoxypropyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 126124356
(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]propanamide
CID 125057687
(2S)-N-[(2S)-2-ethylhexyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 125064427
(2R)-N-(4-butylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 2207210
N-(1-hydrazinyl-1-oxopropan-2-yl)-N-(4-methoxyphenyl)methanesulfonamide
CID 91671599
N-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 133202204
N-[(4-chlorophenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 3715471
N-(2-ethylhexyl)-4-(N-methylsulfonyl-4-propan-2-yloxyanilino)butanamide
CID 133202046
(2R)-N-butyl-2-(4-chloro-N-methylsulfonylanilino)propanamide
CID 126415319
2-(4-chloro-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 4214527
(2R)-N-[2-(4-chlorophenoxy)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 125057542

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(2-ethylhexyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide (CID 133185231) is N-(2-ethylhexyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(2-ethylhexyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(2-ethylhexyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide is CCCCC(CC)CNC(=O)C(C)N(c1ccc(OC)cc1)S(C)(=O)=O.
What is the InChIKey of N-(2-ethylhexyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is GZTXCTPMYFJUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O4S/c1-6-8-9-16(7-2)14-20-19(22)15(3)21(26(5,23)24)17-10-12-18(25-4)13-11-17/h10-13,15-16H,6-9,14H2,1-5H3,(H,20,22).
What are the key properties of N-(2-ethylhexyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
N-(2-ethylhexyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 384.54 g/mol, XLogP of 3.18, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 133185231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).