methyl N-[2-[5-[(4-ethylphenyl)sulfamoyl]thiophen-2-yl]ethyl]carbamate

C16H20N2O4S2 — CID 119045359

IUPACmethyl N-[2-[5-[(4-ethylphenyl)sulfamoyl]thiophen-2-yl]ethyl]carbamate
SMILESCCc1ccc(NS(=O)(=O)c2ccc(CCNC(=O)OC)s2)cc1
InChIInChI=1S/C16H20N2O4S2/c1-3-12-4-6-13(7-5-12)18-24(20,21)15-9-8-14(23-15)10-11-17-16(19)22-2/h4-9,18H,3,10-11H2,1-2H3,(H,17,19)
InChIKeyBJULJCSGQBTBSF-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.01
Rot. Bonds7

About methyl N-[2-[5-[(4-ethylphenyl)sulfamoyl]thiophen-2-yl]ethyl]carbamate

methyl N-[2-[5-[(4-ethylphenyl)sulfamoyl]thiophen-2-yl]ethyl]carbamate (PubChem CID 119045359) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is methyl N-[2-[5-[(4-ethylphenyl)sulfamoyl]thiophen-2-yl]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[5-[(4-ethylphenyl)sulfamoyl]thiophen-2-yl]ethyl]carbamate
PubChem CID119045359
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Namemethyl N-[2-[5-[(4-ethylphenyl)sulfamoyl]thiophen-2-yl]ethyl]carbamate
SMILESCCc1ccc(NS(=O)(=O)c2ccc(CCNC(=O)OC)s2)cc1
InChIInChI=1S/C16H20N2O4S2/c1-3-12-4-6-13(7-5-12)18-24(20,21)15-9-8-14(23-15)10-11-17-16(19)22-2/h4-9,18H,3,10-11H2,1-2H3,(H,17,19)
InChIKeyBJULJCSGQBTBSF-UHFFFAOYSA-N
XLogP3.01
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 107287170
5-[2-(ethylamino)ethyl]-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 106029593
N-(4-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
CID 106060756
5-ethyl-N-(4-methoxyphenyl)thiophene-2-sulfonamide
CID 47309103
N-[2-[5-[(3,5-dimethylphenyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
CID 47068610
5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 47309223
ethyl 4-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]benzoate
CID 16553849
N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
CID 47308966
5-ethyl-N-[4-(1-hydroxyethyl)phenyl]thiophene-2-sulfonamide
CID 61454703
5-[2-(ethylamino)ethyl]-N-pyrimidin-5-ylthiophene-2-sulfonamide
CID 106088598
N-[[5-[(4-methylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 16553822
methyl 4-[[[2-[4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoyl]oxyacetyl]amino]methyl]benzoate
CID 25042935

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[5-[(4-ethylphenyl)sulfamoyl]thiophen-2-yl]ethyl]carbamate?
The IUPAC name of methyl N-[2-[5-[(4-ethylphenyl)sulfamoyl]thiophen-2-yl]ethyl]carbamate (CID 119045359) is methyl N-[2-[5-[(4-ethylphenyl)sulfamoyl]thiophen-2-yl]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[5-[(4-ethylphenyl)sulfamoyl]thiophen-2-yl]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[5-[(4-ethylphenyl)sulfamoyl]thiophen-2-yl]ethyl]carbamate is CCc1ccc(NS(=O)(=O)c2ccc(CCNC(=O)OC)s2)cc1.
What is the InChIKey of methyl N-[2-[5-[(4-ethylphenyl)sulfamoyl]thiophen-2-yl]ethyl]carbamate?
The InChIKey is BJULJCSGQBTBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-3-12-4-6-13(7-5-12)18-24(20,21)15-9-8-14(23-15)10-11-17-16(19)22-2/h4-9,18H,3,10-11H2,1-2H3,(H,17,19).
What are the key properties of methyl N-[2-[5-[(4-ethylphenyl)sulfamoyl]thiophen-2-yl]ethyl]carbamate?
methyl N-[2-[5-[(4-ethylphenyl)sulfamoyl]thiophen-2-yl]ethyl]carbamate has a molecular weight of 368.48 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[5-[(4-ethylphenyl)sulfamoyl]thiophen-2-yl]ethyl]carbamate is sourced from PubChem (CID 119045359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).