4-[(5-acetamidothiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid

C13H13N3O4S — CID 82878012

IUPAC4-[(5-acetamidothiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCC(=O)Nc1ccc(C(=O)Nc2c[nH]c(C)c2C(=O)O)s1
InChIInChI=1S/C13H13N3O4S/c1-6-11(13(19)20)8(5-14-6)16-12(18)9-3-4-10(21-9)15-7(2)17/h3-5,14H,1-2H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyVLPZXNVRAQNNIQ-UHFFFAOYSA-N
MW307.33 g/mol
LogP2.29
Rot. Bonds4

About 4-[(5-acetamidothiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid

4-[(5-acetamidothiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid (PubChem CID 82878012) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is 4-[(5-acetamidothiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-acetamidothiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
PubChem CID82878012
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name4-[(5-acetamidothiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCC(=O)Nc1ccc(C(=O)Nc2c[nH]c(C)c2C(=O)O)s1
InChIInChI=1S/C13H13N3O4S/c1-6-11(13(19)20)8(5-14-6)16-12(18)9-3-4-10(21-9)15-7(2)17/h3-5,14H,1-2H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyVLPZXNVRAQNNIQ-UHFFFAOYSA-N
XLogP2.29
TPSA111.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82880510
4-[(2,6-dichlorobenzoyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881245
2-methyl-4-(pyridine-4-carbonylamino)-1H-pyrrole-3-carboxylic acid
CID 82880507
ethyl 2-methyl-4-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrrole-3-carboxylate
CID 82880897
4-[(2,5-dibromothiophene-3-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 107949461
5-acetamido-N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 24606547
5-acetamido-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
CID 24608441
2-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]-1H-pyrrole-3-carboxylic acid
CID 82880586
2-methyl-4-(pyrimidine-5-carbonylamino)-1H-pyrrole-3-carboxylic acid
CID 102921653
4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881484
4-[(2,4-dihydroxybenzoyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82880433
3-[(5-acetamidothiophene-2-carbonyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914937

Frequently Asked Questions

What is the IUPAC name of 4-[(5-acetamidothiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-[(5-acetamidothiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid (CID 82878012) is 4-[(5-acetamidothiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-[(5-acetamidothiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-[(5-acetamidothiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid is CC(=O)Nc1ccc(C(=O)Nc2c[nH]c(C)c2C(=O)O)s1.
What is the InChIKey of 4-[(5-acetamidothiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is VLPZXNVRAQNNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c1-6-11(13(19)20)8(5-14-6)16-12(18)9-3-4-10(21-9)15-7(2)17/h3-5,14H,1-2H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 4-[(5-acetamidothiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
4-[(5-acetamidothiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 307.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-acetamidothiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82878012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).