ethyl N-[2-[(4-propan-2-ylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate

C18H20N2O6S2 — CID 41148716

IUPACethyl N-[2-[(4-propan-2-ylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C18H20N2O6S2/c1-4-26-18(23)20-16(22)14-9-10-27-17(14)19-15(21)12-5-7-13(8-6-12)28(24,25)11(2)3/h5-11H,4H2,1-3H3,(H,19,21)(H,20,22,23)
InChIKeyWEXFFOKPRVUYPV-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.07
Rot. Bonds6

About ethyl N-[2-[(4-propan-2-ylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate

ethyl N-[2-[(4-propan-2-ylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate (PubChem CID 41148716) has the molecular formula C18H20N2O6S2 and a molecular weight of 424.50 g/mol. Its IUPAC name is ethyl N-[2-[(4-propan-2-ylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[(4-propan-2-ylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate
PubChem CID41148716
Molecular FormulaC18H20N2O6S2
Molecular Weight424.50 g/mol
Exact Mass424.08
IUPAC Nameethyl N-[2-[(4-propan-2-ylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C18H20N2O6S2/c1-4-26-18(23)20-16(22)14-9-10-27-17(14)19-15(21)12-5-7-13(8-6-12)28(24,25)11(2)3/h5-11H,4H2,1-3H3,(H,19,21)(H,20,22,23)
InChIKeyWEXFFOKPRVUYPV-UHFFFAOYSA-N
XLogP3.07
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl N-[2-[(4-fluorobenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7167124
ethyl N-[2-[(3-methylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7565713
ethyl N-[2-(pyrimidine-5-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464823
ethyl N-[2-[(2-sulfanyl-2,3-dihydro-1H-benzimidazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 121467000
ethyl N-[2-(2,1,3-benzoxadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464988
ethyl N-[2-[(2,4-dimethylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7192459
N-(3-cyanothiophen-2-yl)-4-propan-2-ylsulfonylbenzamide
CID 18587186
ethyl 2-[[4-[benzyl(ethyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate
CID 41044645
ethyl N-[2-[(2,2-diphenylacetyl)amino]thiophene-3-carbonyl]carbamate
CID 7167159
ethyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate
CID 7167179
ethyl N-[2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 7167142
ethyl N-(4-propan-2-ylsulfonylphenyl)carbamate
CID 110778736

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(4-propan-2-ylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate?
The IUPAC name of ethyl N-[2-[(4-propan-2-ylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate (CID 41148716) is ethyl N-[2-[(4-propan-2-ylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate.
What is the SMILES notation for ethyl N-[2-[(4-propan-2-ylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate?
The canonical SMILES for ethyl N-[2-[(4-propan-2-ylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate is CCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)C(C)C)cc1.
What is the InChIKey of ethyl N-[2-[(4-propan-2-ylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate?
The InChIKey is WEXFFOKPRVUYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S2/c1-4-26-18(23)20-16(22)14-9-10-27-17(14)19-15(21)12-5-7-13(8-6-12)28(24,25)11(2)3/h5-11H,4H2,1-3H3,(H,19,21)(H,20,22,23).
What are the key properties of ethyl N-[2-[(4-propan-2-ylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate?
ethyl N-[2-[(4-propan-2-ylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate has a molecular weight of 424.50 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[(4-propan-2-ylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 41148716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).