4-[[2-[(5-chlorothiophene-2-carbonyl)amino]-2-methylpropanoyl]amino]-2-methylbenzoic acid

C17H17ClN2O4S — CID 68637770

IUPAC4-[[2-[(5-chlorothiophene-2-carbonyl)amino]-2-methylpropanoyl]amino]-2-methylbenzoic acid
SMILESCc1cc(NC(=O)C(C)(C)NC(=O)c2ccc(Cl)s2)ccc1C(=O)O
InChIInChI=1S/C17H17ClN2O4S/c1-9-8-10(4-5-11(9)15(22)23)19-16(24)17(2,3)20-14(21)12-6-7-13(18)25-12/h4-8H,1-3H3,(H,19,24)(H,20,21)(H,22,23)
InChIKeyBUMIEWUBNHBODA-UHFFFAOYSA-N
MW380.85 g/mol
LogP3.56
Rot. Bonds5

About 4-[[2-[(5-chlorothiophene-2-carbonyl)amino]-2-methylpropanoyl]amino]-2-methylbenzoic acid

4-[[2-[(5-chlorothiophene-2-carbonyl)amino]-2-methylpropanoyl]amino]-2-methylbenzoic acid (PubChem CID 68637770) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is 4-[[2-[(5-chlorothiophene-2-carbonyl)amino]-2-methylpropanoyl]amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name4-[[2-[(5-chlorothiophene-2-carbonyl)amino]-2-methylpropanoyl]amino]-2-methylbenzoic acid
PubChem CID68637770
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC Name4-[[2-[(5-chlorothiophene-2-carbonyl)amino]-2-methylpropanoyl]amino]-2-methylbenzoic acid
SMILESCc1cc(NC(=O)C(C)(C)NC(=O)c2ccc(Cl)s2)ccc1C(=O)O
InChIInChI=1S/C17H17ClN2O4S/c1-9-8-10(4-5-11(9)15(22)23)19-16(24)17(2,3)20-14(21)12-6-7-13(18)25-12/h4-8H,1-3H3,(H,19,24)(H,20,21)(H,22,23)
InChIKeyBUMIEWUBNHBODA-UHFFFAOYSA-N
XLogP3.56
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[2-[(5-chlorothiophene-2-carbonyl)amino]-2-methylpropanoyl]amino]-2-methylbenzoic acid with MolForge

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Related Compounds

5-chloro-N-[2-methyl-1-[3-methyl-4-(thiomorpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 58774405
5-chloro-N-[1-[4-(3-hydroxypiperidine-1-carbonyl)-3-methylanilino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 58774410
5-chloro-N-[2-methyl-1-[3-methyl-4-(5-oxo-1,4-diazepane-1-carbonyl)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 58774368
5-chloro-N-[1-[4-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-3-methylanilino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 70333175
4-[(5-chlorothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 43358268
5-chloro-N-[1-[(6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)amino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 59452248
4-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid
CID 43091739
4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-methylbenzoic acid
CID 79812206
(5-chlorothiophen-2-yl) N-[2-methyl-1-[3-methyl-4-(2-methylpyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]carbamate
CID 91447784
N-[1-(4-fluoroanilino)-2-methyl-1-oxopropan-2-yl]-5-methylthiophene-2-carboxamide
CID 167062663
2-methyl-5-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid
CID 63654554
methyl 2-[1-[4-[[2-[(5-chlorothiophen-2-yl)oxycarbonylamino]-2-methylpropanoyl]amino]-2-methylbenzoyl]piperidin-2-yl]acetate
CID 91470982

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(5-chlorothiophene-2-carbonyl)amino]-2-methylpropanoyl]amino]-2-methylbenzoic acid?
The IUPAC name of 4-[[2-[(5-chlorothiophene-2-carbonyl)amino]-2-methylpropanoyl]amino]-2-methylbenzoic acid (CID 68637770) is 4-[[2-[(5-chlorothiophene-2-carbonyl)amino]-2-methylpropanoyl]amino]-2-methylbenzoic acid.
What is the SMILES notation for 4-[[2-[(5-chlorothiophene-2-carbonyl)amino]-2-methylpropanoyl]amino]-2-methylbenzoic acid?
The canonical SMILES for 4-[[2-[(5-chlorothiophene-2-carbonyl)amino]-2-methylpropanoyl]amino]-2-methylbenzoic acid is Cc1cc(NC(=O)C(C)(C)NC(=O)c2ccc(Cl)s2)ccc1C(=O)O.
What is the InChIKey of 4-[[2-[(5-chlorothiophene-2-carbonyl)amino]-2-methylpropanoyl]amino]-2-methylbenzoic acid?
The InChIKey is BUMIEWUBNHBODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c1-9-8-10(4-5-11(9)15(22)23)19-16(24)17(2,3)20-14(21)12-6-7-13(18)25-12/h4-8H,1-3H3,(H,19,24)(H,20,21)(H,22,23).
What are the key properties of 4-[[2-[(5-chlorothiophene-2-carbonyl)amino]-2-methylpropanoyl]amino]-2-methylbenzoic acid?
4-[[2-[(5-chlorothiophene-2-carbonyl)amino]-2-methylpropanoyl]amino]-2-methylbenzoic acid has a molecular weight of 380.85 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(5-chlorothiophene-2-carbonyl)amino]-2-methylpropanoyl]amino]-2-methylbenzoic acid is sourced from PubChem (CID 68637770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).