ethyl N-acetyl-N-[(1S)-1-(4-methoxy-3-sulfamoylphenyl)ethyl]carbamate

C14H20N2O6S — CID 142657183

IUPACethyl N-acetyl-N-[(1S)-1-(4-methoxy-3-sulfamoylphenyl)ethyl]carbamate
SMILESCCOC(=O)N(C(C)=O)[C@@H](C)c1ccc(OC)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H20N2O6S/c1-5-22-14(18)16(10(3)17)9(2)11-6-7-12(21-4)13(8-11)23(15,19)20/h6-9H,5H2,1-4H3,(H2,15,19,20)/t9-/m0/s1
InChIKeyHXASOYPTCZLQNB-VIFPVBQESA-N
MW344.39 g/mol
LogP1.41
Rot. Bonds5

About ethyl N-acetyl-N-[(1S)-1-(4-methoxy-3-sulfamoylphenyl)ethyl]carbamate

ethyl N-acetyl-N-[(1S)-1-(4-methoxy-3-sulfamoylphenyl)ethyl]carbamate (PubChem CID 142657183) has the molecular formula C14H20N2O6S and a molecular weight of 344.39 g/mol. Its IUPAC name is ethyl N-acetyl-N-[(1S)-1-(4-methoxy-3-sulfamoylphenyl)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-acetyl-N-[(1S)-1-(4-methoxy-3-sulfamoylphenyl)ethyl]carbamate
PubChem CID142657183
Molecular FormulaC14H20N2O6S
Molecular Weight344.39 g/mol
Exact Mass344.10
IUPAC Nameethyl N-acetyl-N-[(1S)-1-(4-methoxy-3-sulfamoylphenyl)ethyl]carbamate
SMILESCCOC(=O)N(C(C)=O)[C@@H](C)c1ccc(OC)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H20N2O6S/c1-5-22-14(18)16(10(3)17)9(2)11-6-7-12(21-4)13(8-11)23(15,19)20/h6-9H,5H2,1-4H3,(H2,15,19,20)/t9-/m0/s1
InChIKeyHXASOYPTCZLQNB-VIFPVBQESA-N
XLogP1.41
TPSA116.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-methoxy-3-sulfamoylphenyl)ethyl]-2-methylpropanamide
CID 66242650
1-ethoxypropan-2-yl 4-methoxy-3-sulfamoylbenzoate
CID 103491207
N,N-diethyl-2-(4-methoxy-3-sulfamoylphenyl)acetamide
CID 65373612
N-(1-ethoxypropan-2-yl)-4-methoxy-3-sulfamoylbenzamide
CID 65389004
N-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide
CID 96561901
N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide
CID 14099978
ethyl (2S)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]propanoate
CID 95975765
2-(4-methoxy-3-sulfamoylphenyl)-N-pentan-3-ylacetamide
CID 65374268
4-(1-aminopropan-2-yl)-2-methoxybenzenesulfonamide
CID 141353715
2-methoxy-N,5-dimethyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 8801941
4-methoxy-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide
CID 65381397
N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]acetamide
CID 71757647

Frequently Asked Questions

What is the IUPAC name of ethyl N-acetyl-N-[(1S)-1-(4-methoxy-3-sulfamoylphenyl)ethyl]carbamate?
The IUPAC name of ethyl N-acetyl-N-[(1S)-1-(4-methoxy-3-sulfamoylphenyl)ethyl]carbamate (CID 142657183) is ethyl N-acetyl-N-[(1S)-1-(4-methoxy-3-sulfamoylphenyl)ethyl]carbamate.
What is the SMILES notation for ethyl N-acetyl-N-[(1S)-1-(4-methoxy-3-sulfamoylphenyl)ethyl]carbamate?
The canonical SMILES for ethyl N-acetyl-N-[(1S)-1-(4-methoxy-3-sulfamoylphenyl)ethyl]carbamate is CCOC(=O)N(C(C)=O)[C@@H](C)c1ccc(OC)c(S(N)(=O)=O)c1.
What is the InChIKey of ethyl N-acetyl-N-[(1S)-1-(4-methoxy-3-sulfamoylphenyl)ethyl]carbamate?
The InChIKey is HXASOYPTCZLQNB-VIFPVBQESA-N. The full InChI is InChI=1S/C14H20N2O6S/c1-5-22-14(18)16(10(3)17)9(2)11-6-7-12(21-4)13(8-11)23(15,19)20/h6-9H,5H2,1-4H3,(H2,15,19,20)/t9-/m0/s1.
What are the key properties of ethyl N-acetyl-N-[(1S)-1-(4-methoxy-3-sulfamoylphenyl)ethyl]carbamate?
ethyl N-acetyl-N-[(1S)-1-(4-methoxy-3-sulfamoylphenyl)ethyl]carbamate has a molecular weight of 344.39 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-acetyl-N-[(1S)-1-(4-methoxy-3-sulfamoylphenyl)ethyl]carbamate is sourced from PubChem (CID 142657183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).