3-(methanesulfonamido)-N-[(2-phenoxyphenyl)methyl]propanamide

C17H20N2O4S — CID 51097793

IUPAC3-(methanesulfonamido)-N-[(2-phenoxyphenyl)methyl]propanamide
SMILESCS(=O)(=O)NCCC(=O)NCc1ccccc1Oc1ccccc1
InChIInChI=1S/C17H20N2O4S/c1-24(21,22)19-12-11-17(20)18-13-14-7-5-6-10-16(14)23-15-8-3-2-4-9-15/h2-10,19H,11-13H2,1H3,(H,18,20)
InChIKeyHBLDMVHVPBYYQA-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.03
Rot. Bonds8

About 3-(methanesulfonamido)-N-[(2-phenoxyphenyl)methyl]propanamide

3-(methanesulfonamido)-N-[(2-phenoxyphenyl)methyl]propanamide (PubChem CID 51097793) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[(2-phenoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[(2-phenoxyphenyl)methyl]propanamide
PubChem CID51097793
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name3-(methanesulfonamido)-N-[(2-phenoxyphenyl)methyl]propanamide
SMILESCS(=O)(=O)NCCC(=O)NCc1ccccc1Oc1ccccc1
InChIInChI=1S/C17H20N2O4S/c1-24(21,22)19-12-11-17(20)18-13-14-7-5-6-10-16(14)23-15-8-3-2-4-9-15/h2-10,19H,11-13H2,1H3,(H,18,20)
InChIKeyHBLDMVHVPBYYQA-UHFFFAOYSA-N
XLogP2.03
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9246179
4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide
CID 119777787
4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide;hydrochloride
CID 119777786
2-(cyclopropylmethylamino)-N-[(2-phenoxyphenyl)methyl]acetamide
CID 119756337
N-[(2-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26734453
2-chloro-N-[[2-(3-methylphenoxy)phenyl]methyl]acetamide
CID 146085901
N-[2-(2-fluorophenoxy)ethyl]-3-(methanesulfonamido)propanamide
CID 131921415
3-(methanesulfonamido)-N-(thiophen-2-ylmethyl)propanamide
CID 47028254
N-[(2-phenoxyphenyl)methyl]oxirane-2-carboxamide
CID 154880106
N-[(2-methoxyphenyl)methyl]-2-(4-phenoxyphenoxy)acetamide
CID 7610854
3-amino-N-[(2-ethoxyphenyl)methyl]propanamide
CID 82677450
3-(2-phenoxyanilino)-N-propylpropanamide
CID 109011455

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[(2-phenoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(methanesulfonamido)-N-[(2-phenoxyphenyl)methyl]propanamide (CID 51097793) is 3-(methanesulfonamido)-N-[(2-phenoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[(2-phenoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[(2-phenoxyphenyl)methyl]propanamide is CS(=O)(=O)NCCC(=O)NCc1ccccc1Oc1ccccc1.
What is the InChIKey of 3-(methanesulfonamido)-N-[(2-phenoxyphenyl)methyl]propanamide?
The InChIKey is HBLDMVHVPBYYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-24(21,22)19-12-11-17(20)18-13-14-7-5-6-10-16(14)23-15-8-3-2-4-9-15/h2-10,19H,11-13H2,1H3,(H,18,20).
What are the key properties of 3-(methanesulfonamido)-N-[(2-phenoxyphenyl)methyl]propanamide?
3-(methanesulfonamido)-N-[(2-phenoxyphenyl)methyl]propanamide has a molecular weight of 348.42 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[(2-phenoxyphenyl)methyl]propanamide is sourced from PubChem (CID 51097793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).