(2S)-2-(2-ethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide

C22H24N4O4S — CID 28570993

IUPAC(2S)-2-(2-ethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1
InChIInChI=1S/C22H24N4O4S/c1-4-17-7-5-6-8-20(17)30-16(3)21(27)25-18-9-11-19(12-10-18)31(28,29)26-22-23-14-13-15(2)24-22/h5-14,16H,4H2,1-3H3,(H,25,27)(H,23,24,26)/t16-/m0/s1
InChIKeyMHBFATRJVCJPML-INIZCTEOSA-N
MW440.53 g/mol
LogP3.55
Rot. Bonds8

About (2S)-2-(2-ethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide

(2S)-2-(2-ethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide (PubChem CID 28570993) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is (2S)-2-(2-ethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-ethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
PubChem CID28570993
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC Name(2S)-2-(2-ethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1
InChIInChI=1S/C22H24N4O4S/c1-4-17-7-5-6-8-20(17)30-16(3)21(27)25-18-9-11-19(12-10-18)31(28,29)26-22-23-14-13-15(2)24-22/h5-14,16H,4H2,1-3H3,(H,25,27)(H,23,24,26)/t16-/m0/s1
InChIKeyMHBFATRJVCJPML-INIZCTEOSA-N
XLogP3.55
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxypropanamide
CID 3145073
2-(4-chloro-2-methylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 2932272
(2R)-2-(2-methylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide
CID 92672537
(2R)-2-(2-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 92681510
(2S)-2-(2-ethylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 94012374
2-(4-tert-butylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 43904932
(2S)-2-(2-ethylphenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanamide
CID 92646395
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(2-ethylphenoxy)propanamide
CID 43915601
(2R)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylbutanamide
CID 1273275
2-(2-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 53266521
[1-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 25043766
2-phenoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 3148025

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-ethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
The IUPAC name of (2S)-2-(2-ethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide (CID 28570993) is (2S)-2-(2-ethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for (2S)-2-(2-ethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for (2S)-2-(2-ethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide is CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1.
What is the InChIKey of (2S)-2-(2-ethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
The InChIKey is MHBFATRJVCJPML-INIZCTEOSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-4-17-7-5-6-8-20(17)30-16(3)21(27)25-18-9-11-19(12-10-18)31(28,29)26-22-23-14-13-15(2)24-22/h5-14,16H,4H2,1-3H3,(H,25,27)(H,23,24,26)/t16-/m0/s1.
What are the key properties of (2S)-2-(2-ethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
(2S)-2-(2-ethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide has a molecular weight of 440.53 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-ethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 28570993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).