methyl N-[2-[(2,4-dimethylbenzoyl)amino]thiophene-3-carbonyl]carbamate

C16H16N2O4S — CID 7192458

IUPACmethyl N-[2-[(2,4-dimethylbenzoyl)amino]thiophene-3-carbonyl]carbamate
SMILESCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(C)cc1C
InChIInChI=1S/C16H16N2O4S/c1-9-4-5-11(10(2)8-9)13(19)17-15-12(6-7-23-15)14(20)18-16(21)22-3/h4-8H,1-3H3,(H,17,19)(H,18,20,21)
InChIKeyWUXHNHUNIOMWJP-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.11
Rot. Bonds3

About methyl N-[2-[(2,4-dimethylbenzoyl)amino]thiophene-3-carbonyl]carbamate

methyl N-[2-[(2,4-dimethylbenzoyl)amino]thiophene-3-carbonyl]carbamate (PubChem CID 7192458) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is methyl N-[2-[(2,4-dimethylbenzoyl)amino]thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[(2,4-dimethylbenzoyl)amino]thiophene-3-carbonyl]carbamate
PubChem CID7192458
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Namemethyl N-[2-[(2,4-dimethylbenzoyl)amino]thiophene-3-carbonyl]carbamate
SMILESCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(C)cc1C
InChIInChI=1S/C16H16N2O4S/c1-9-4-5-11(10(2)8-9)13(19)17-15-12(6-7-23-15)14(20)18-16(21)22-3/h4-8H,1-3H3,(H,17,19)(H,18,20,21)
InChIKeyWUXHNHUNIOMWJP-UHFFFAOYSA-N
XLogP3.11
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[2-[(2,4-dimethylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7192459
methyl N-[2-[(2,4-dimethoxybenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7167041
methyl N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 16953741
2,4-dimethyl-N-(1,3-thiazol-2-yl)benzamide
CID 953286
methyl N-[2-[(3-propan-2-ylsulfanylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 41147034
methyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate
CID 7167092
methyl 2-[(2,4-dimethylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 7287254
methyl N-[2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 7167067
methyl N-[2-[(3-butoxybenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7167065
2-[(2-bromo-5-methylbenzoyl)amino]thiophene-3-carboxamide
CID 81003369
methyl N-[2-(3-phenoxypropanoylamino)thiophene-3-carbonyl]carbamate
CID 7167057
ethyl N-[2-[(4-fluorobenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7167124

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(2,4-dimethylbenzoyl)amino]thiophene-3-carbonyl]carbamate?
The IUPAC name of methyl N-[2-[(2,4-dimethylbenzoyl)amino]thiophene-3-carbonyl]carbamate (CID 7192458) is methyl N-[2-[(2,4-dimethylbenzoyl)amino]thiophene-3-carbonyl]carbamate.
What is the SMILES notation for methyl N-[2-[(2,4-dimethylbenzoyl)amino]thiophene-3-carbonyl]carbamate?
The canonical SMILES for methyl N-[2-[(2,4-dimethylbenzoyl)amino]thiophene-3-carbonyl]carbamate is COC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(C)cc1C.
What is the InChIKey of methyl N-[2-[(2,4-dimethylbenzoyl)amino]thiophene-3-carbonyl]carbamate?
The InChIKey is WUXHNHUNIOMWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-9-4-5-11(10(2)8-9)13(19)17-15-12(6-7-23-15)14(20)18-16(21)22-3/h4-8H,1-3H3,(H,17,19)(H,18,20,21).
What are the key properties of methyl N-[2-[(2,4-dimethylbenzoyl)amino]thiophene-3-carbonyl]carbamate?
methyl N-[2-[(2,4-dimethylbenzoyl)amino]thiophene-3-carbonyl]carbamate has a molecular weight of 332.38 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(2,4-dimethylbenzoyl)amino]thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 7192458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).