(2R)-2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-ethylpropanamide

C14H21N3O5S — CID 8802619

IUPAC(2R)-2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(NC(C)=O)c(OC)c1
InChIInChI=1S/C14H21N3O5S/c1-5-15-14(19)9(2)17-23(20,21)11-6-7-12(16-10(3)18)13(8-11)22-4/h6-9,17H,5H2,1-4H3,(H,15,19)(H,16,18)/t9-/m1/s1
InChIKeyUSTHWTCXHPVBBE-SECBINFHSA-N
MW343.41 g/mol
LogP0.46
Rot. Bonds7

About (2R)-2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-ethylpropanamide

(2R)-2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-ethylpropanamide (PubChem CID 8802619) has the molecular formula C14H21N3O5S and a molecular weight of 343.41 g/mol. Its IUPAC name is (2R)-2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-ethylpropanamide
PubChem CID8802619
Molecular FormulaC14H21N3O5S
Molecular Weight343.41 g/mol
Exact Mass343.12
IUPAC Name(2R)-2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(NC(C)=O)c(OC)c1
InChIInChI=1S/C14H21N3O5S/c1-5-15-14(19)9(2)17-23(20,21)11-6-7-12(16-10(3)18)13(8-11)22-4/h6-9,17H,5H2,1-4H3,(H,15,19)(H,16,18)/t9-/m1/s1
InChIKeyUSTHWTCXHPVBBE-SECBINFHSA-N
XLogP0.46
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylpentanoate
CID 18532455
(2R)-N-(2,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 41339682
2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 81440558
N-[4-[1-(4-fluorophenyl)ethylsulfamoyl]-2-methoxyphenyl]acetamide
CID 4877871
N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 8777670
2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 9189598
2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-methylacetamide
CID 9302272
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 7354928
(2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide
CID 9264822
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 43834722
(2R)-N-ethyl-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51424939
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 41261269

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-ethylpropanamide?
The IUPAC name of (2R)-2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-ethylpropanamide (CID 8802619) is (2R)-2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-ethylpropanamide.
What is the SMILES notation for (2R)-2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-ethylpropanamide?
The canonical SMILES for (2R)-2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-ethylpropanamide is CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(NC(C)=O)c(OC)c1.
What is the InChIKey of (2R)-2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-ethylpropanamide?
The InChIKey is USTHWTCXHPVBBE-SECBINFHSA-N. The full InChI is InChI=1S/C14H21N3O5S/c1-5-15-14(19)9(2)17-23(20,21)11-6-7-12(16-10(3)18)13(8-11)22-4/h6-9,17H,5H2,1-4H3,(H,15,19)(H,16,18)/t9-/m1/s1.
What are the key properties of (2R)-2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-ethylpropanamide?
(2R)-2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-ethylpropanamide has a molecular weight of 343.41 g/mol, XLogP of 0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-ethylpropanamide is sourced from PubChem (CID 8802619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).