N-[(2-ethoxyphenyl)methyl]-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide

C19H21N3O6S — CID 24793730

IUPACN-[(2-ethoxyphenyl)methyl]-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide
SMILESCCOc1ccccc1CNC(=O)CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C19H21N3O6S/c1-2-27-16-6-4-3-5-13(16)12-20-18(23)9-10-21-29(25,26)14-7-8-15-17(11-14)28-19(24)22-15/h3-8,11,21H,2,9-10,12H2,1H3,(H,20,23)(H,22,24)
InChIKeyRNYQKAKPXGJWAW-UHFFFAOYSA-N
MW419.46 g/mol
LogP1.50
Rot. Bonds9

About N-[(2-ethoxyphenyl)methyl]-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide

N-[(2-ethoxyphenyl)methyl]-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide (PubChem CID 24793730) has the molecular formula C19H21N3O6S and a molecular weight of 419.46 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide
PubChem CID24793730
Molecular FormulaC19H21N3O6S
Molecular Weight419.46 g/mol
Exact Mass419.12
IUPAC NameN-[(2-ethoxyphenyl)methyl]-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide
SMILESCCOc1ccccc1CNC(=O)CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C19H21N3O6S/c1-2-27-16-6-4-3-5-13(16)12-20-18(23)9-10-21-29(25,26)14-7-8-15-17(11-14)28-19(24)22-15/h3-8,11,21H,2,9-10,12H2,1H3,(H,20,23)(H,22,24)
InChIKeyRNYQKAKPXGJWAW-UHFFFAOYSA-N
XLogP1.50
TPSA130.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(2-ethoxyphenyl)methyl]-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide with MolForge

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760660
3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9246179
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]butanamide
CID 9246232
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 27514876
N-(2-ethoxyphenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760726
3-amino-N-[(2-ethoxyphenyl)methyl]propanamide
CID 82677450
2-[3-[[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]methyl]phenyl]acetic acid
CID 167864480
ethyl 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzoate
CID 94109831
N-[2-(2-aminoethoxy)ethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82345205
N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110518341
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 34235016
N-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110719026

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide (CID 24793730) is N-[(2-ethoxyphenyl)methyl]-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide is CCOc1ccccc1CNC(=O)CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide?
The InChIKey is RNYQKAKPXGJWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6S/c1-2-27-16-6-4-3-5-13(16)12-20-18(23)9-10-21-29(25,26)14-7-8-15-17(11-14)28-19(24)22-15/h3-8,11,21H,2,9-10,12H2,1H3,(H,20,23)(H,22,24).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide?
N-[(2-ethoxyphenyl)methyl]-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide has a molecular weight of 419.46 g/mol, XLogP of 1.50, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide is sourced from PubChem (CID 24793730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).