(2S)-2-(benzenesulfonamido)-N-[2-(ethoxymethyl)phenyl]propanamide

C18H22N2O4S — CID 86826290

IUPAC(2S)-2-(benzenesulfonamido)-N-[2-(ethoxymethyl)phenyl]propanamide
SMILESCCOCc1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H22N2O4S/c1-3-24-13-15-9-7-8-12-17(15)19-18(21)14(2)20-25(22,23)16-10-5-4-6-11-16/h4-12,14,20H,3,13H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyTZGWVMHORYKTQD-AWEZNQCLSA-N
MW362.45 g/mol
LogP2.53
Rot. Bonds8

About (2S)-2-(benzenesulfonamido)-N-[2-(ethoxymethyl)phenyl]propanamide

(2S)-2-(benzenesulfonamido)-N-[2-(ethoxymethyl)phenyl]propanamide (PubChem CID 86826290) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)-N-[2-(ethoxymethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)-N-[2-(ethoxymethyl)phenyl]propanamide
PubChem CID86826290
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name(2S)-2-(benzenesulfonamido)-N-[2-(ethoxymethyl)phenyl]propanamide
SMILESCCOCc1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H22N2O4S/c1-3-24-13-15-9-7-8-12-17(15)19-18(21)14(2)20-25(22,23)16-10-5-4-6-11-16/h4-12,14,20H,3,13H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyTZGWVMHORYKTQD-AWEZNQCLSA-N
XLogP2.53
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethoxymethyl)phenyl]-2-methoxypropanamide
CID 112686280
N-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 3256191
(2S)-2-(benzenesulfonamido)-N-(2-methylsulfanylphenyl)propanamide
CID 1254732
(2S)-2-(benzenesulfonamido)-N-phenylpropanamide
CID 41330853
N-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 2950042
(2S)-2-(benzenesulfonamido)-N-(3-chloro-2-methylphenyl)propanamide
CID 41330887
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
3-[2-(ethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111754728
N-(2-ethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
CID 2991878
6-amino-N-[2-(ethoxymethyl)phenyl]-2-methylheptanamide
CID 65290260
(2S)-2-(benzenesulfonamido)-N-[(2R)-butan-2-yl]propanamide
CID 41330742
2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide
CID 3923761

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)-N-[2-(ethoxymethyl)phenyl]propanamide?
The IUPAC name of (2S)-2-(benzenesulfonamido)-N-[2-(ethoxymethyl)phenyl]propanamide (CID 86826290) is (2S)-2-(benzenesulfonamido)-N-[2-(ethoxymethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)-N-[2-(ethoxymethyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-(benzenesulfonamido)-N-[2-(ethoxymethyl)phenyl]propanamide is CCOCc1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1.
What is the InChIKey of (2S)-2-(benzenesulfonamido)-N-[2-(ethoxymethyl)phenyl]propanamide?
The InChIKey is TZGWVMHORYKTQD-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-3-24-13-15-9-7-8-12-17(15)19-18(21)14(2)20-25(22,23)16-10-5-4-6-11-16/h4-12,14,20H,3,13H2,1-2H3,(H,19,21)/t14-/m0/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)-N-[2-(ethoxymethyl)phenyl]propanamide?
(2S)-2-(benzenesulfonamido)-N-[2-(ethoxymethyl)phenyl]propanamide has a molecular weight of 362.45 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonamido)-N-[2-(ethoxymethyl)phenyl]propanamide is sourced from PubChem (CID 86826290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).