ethyl N-[2-[(3-methylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate

C16H16N2O6S2 — CID 7565713

IUPACethyl N-[2-[(3-methylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C16H16N2O6S2/c1-3-24-16(21)18-14(20)12-7-8-25-15(12)17-13(19)10-5-4-6-11(9-10)26(2,22)23/h4-9H,3H2,1-2H3,(H,17,19)(H,18,20,21)
InChIKeyBKTPJFSCDIIGJK-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.29
Rot. Bonds5

About ethyl N-[2-[(3-methylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate

ethyl N-[2-[(3-methylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate (PubChem CID 7565713) has the molecular formula C16H16N2O6S2 and a molecular weight of 396.45 g/mol. Its IUPAC name is ethyl N-[2-[(3-methylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[(3-methylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate
PubChem CID7565713
Molecular FormulaC16H16N2O6S2
Molecular Weight396.45 g/mol
Exact Mass396.04
IUPAC Nameethyl N-[2-[(3-methylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C16H16N2O6S2/c1-3-24-16(21)18-14(20)12-7-8-25-15(12)17-13(19)10-5-4-6-11(9-10)26(2,22)23/h4-9H,3H2,1-2H3,(H,17,19)(H,18,20,21)
InChIKeyBKTPJFSCDIIGJK-UHFFFAOYSA-N
XLogP2.29
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl N-[2-[(3-methylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[2-[(4-propan-2-ylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 41148716
ethyl N-[2-(2,1,3-benzoxadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464988
ethyl N-[2-[(4-fluorobenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7167124
ethyl N-[2-(pyrimidine-5-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464823
ethyl N-[2-[(3-ethylsulfonylbenzoyl)amino]-4,5-dimethylthiophene-3-carbonyl]carbamate
CID 16822972
ethyl N-[2-[(2-sulfanyl-2,3-dihydro-1H-benzimidazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 121467000
ethyl 4-(2-methylpropyl)-2-[(3-methylsulfonylbenzoyl)amino]thiophene-3-carboxylate
CID 18131623
ethyl N-[2-[(2,4-dimethylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7192459
ethyl 2-[(3-chlorobenzoyl)amino]thiophene-3-carboxylate
CID 7166979
propan-2-yl N-[4-[[3-(ethoxycarbonylcarbamoyl)thiophen-2-yl]carbamoyl]-2-pyridinyl]carbamate
CID 86582902
ethyl 4-(ethoxycarbonylcarbamoyl)-5-[(3-ethylsulfonylbenzoyl)amino]-3-methylthiophene-2-carboxylate
CID 41044258
ethyl N-[2-[(2,2-diphenylacetyl)amino]thiophene-3-carbonyl]carbamate
CID 7167159

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(3-methylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate?
The IUPAC name of ethyl N-[2-[(3-methylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate (CID 7565713) is ethyl N-[2-[(3-methylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate.
What is the SMILES notation for ethyl N-[2-[(3-methylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate?
The canonical SMILES for ethyl N-[2-[(3-methylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate is CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of ethyl N-[2-[(3-methylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate?
The InChIKey is BKTPJFSCDIIGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6S2/c1-3-24-16(21)18-14(20)12-7-8-25-15(12)17-13(19)10-5-4-6-11(9-10)26(2,22)23/h4-9H,3H2,1-2H3,(H,17,19)(H,18,20,21).
What are the key properties of ethyl N-[2-[(3-methylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate?
ethyl N-[2-[(3-methylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate has a molecular weight of 396.45 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[(3-methylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 7565713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).