methyl 2-[(3-bromothiophene-2-carbonyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate

C15H16BrNO3S2 — CID 55760685

IUPACmethyl 2-[(3-bromothiophene-2-carbonyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(CC(C)C)csc1NC(=O)c1sccc1Br
InChIInChI=1S/C15H16BrNO3S2/c1-8(2)6-9-7-22-14(11(9)15(19)20-3)17-13(18)12-10(16)4-5-21-12/h4-5,7-8H,6H2,1-3H3,(H,17,18)
InChIKeyYTHUFKCGSFJNCQ-UHFFFAOYSA-N
MW402.34 g/mol
LogP4.81
Rot. Bonds5

About methyl 2-[(3-bromothiophene-2-carbonyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate

methyl 2-[(3-bromothiophene-2-carbonyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate (PubChem CID 55760685) has the molecular formula C15H16BrNO3S2 and a molecular weight of 402.34 g/mol. Its IUPAC name is methyl 2-[(3-bromothiophene-2-carbonyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-bromothiophene-2-carbonyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate
PubChem CID55760685
Molecular FormulaC15H16BrNO3S2
Molecular Weight402.34 g/mol
Exact Mass400.98
IUPAC Namemethyl 2-[(3-bromothiophene-2-carbonyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(CC(C)C)csc1NC(=O)c1sccc1Br
InChIInChI=1S/C15H16BrNO3S2/c1-8(2)6-9-7-22-14(11(9)15(19)20-3)17-13(18)12-10(16)4-5-21-12/h4-5,7-8H,6H2,1-3H3,(H,17,18)
InChIKeyYTHUFKCGSFJNCQ-UHFFFAOYSA-N
XLogP4.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.34
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(3,5-dimethoxybenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate
CID 55488614
methyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate
CID 55672871
ethyl 2-[(3-bromothiophene-2-carbonyl)amino]-4-cyclopropylthiophene-3-carboxylate
CID 55755588
methyl 2-[3-(4-methylphenyl)sulfonylpropanoylamino]-4-(2-methylpropyl)thiophene-3-carboxylate
CID 55488542
methyl 4-(2-methylpropyl)-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate
CID 56501285
methyl 4-(2-methylpropyl)-2-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate
CID 55973372
methyl 2-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate
CID 55645804
methyl 2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate
CID 55645594
methyl 2-[(3-bromothiophene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 55759174
methyl 4-(2-methylpropyl)-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate
CID 55645535
methyl 2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate
CID 55872647
1-[[3-methoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122087775

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-bromothiophene-2-carbonyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate?
The IUPAC name of methyl 2-[(3-bromothiophene-2-carbonyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate (CID 55760685) is methyl 2-[(3-bromothiophene-2-carbonyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(3-bromothiophene-2-carbonyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(3-bromothiophene-2-carbonyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate is COC(=O)c1c(CC(C)C)csc1NC(=O)c1sccc1Br.
What is the InChIKey of methyl 2-[(3-bromothiophene-2-carbonyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate?
The InChIKey is YTHUFKCGSFJNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3S2/c1-8(2)6-9-7-22-14(11(9)15(19)20-3)17-13(18)12-10(16)4-5-21-12/h4-5,7-8H,6H2,1-3H3,(H,17,18).
What are the key properties of methyl 2-[(3-bromothiophene-2-carbonyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate?
methyl 2-[(3-bromothiophene-2-carbonyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate has a molecular weight of 402.34 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-bromothiophene-2-carbonyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate is sourced from PubChem (CID 55760685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).