N-cyclopropyl-4-methyl-3-[[3-methyl-4-(1,2,5-thiadiazol-3-ylmethoxy)benzoyl]amino]benzamide

C22H22N4O3S — CID 11258737

IUPACN-cyclopropyl-4-methyl-3-[[3-methyl-4-(1,2,5-thiadiazol-3-ylmethoxy)benzoyl]amino]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(OCc2cnsn2)c(C)c1
InChIInChI=1S/C22H22N4O3S/c1-13-3-4-16(21(27)24-17-6-7-17)10-19(13)25-22(28)15-5-8-20(14(2)9-15)29-12-18-11-23-30-26-18/h3-5,8-11,17H,6-7,12H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyOAOUEUXVKOJXAL-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.88
Rot. Bonds7

About N-cyclopropyl-4-methyl-3-[[3-methyl-4-(1,2,5-thiadiazol-3-ylmethoxy)benzoyl]amino]benzamide

N-cyclopropyl-4-methyl-3-[[3-methyl-4-(1,2,5-thiadiazol-3-ylmethoxy)benzoyl]amino]benzamide (PubChem CID 11258737) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[[3-methyl-4-(1,2,5-thiadiazol-3-ylmethoxy)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[[3-methyl-4-(1,2,5-thiadiazol-3-ylmethoxy)benzoyl]amino]benzamide
PubChem CID11258737
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC NameN-cyclopropyl-4-methyl-3-[[3-methyl-4-(1,2,5-thiadiazol-3-ylmethoxy)benzoyl]amino]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(OCc2cnsn2)c(C)c1
InChIInChI=1S/C22H22N4O3S/c1-13-3-4-16(21(27)24-17-6-7-17)10-19(13)25-22(28)15-5-8-20(14(2)9-15)29-12-18-11-23-30-26-18/h3-5,8-11,17H,6-7,12H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyOAOUEUXVKOJXAL-UHFFFAOYSA-N
XLogP3.88
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-4-methyl-3-[[3-methyl-4-(1,2,5-thiadiazol-3-ylmethoxy)benzoyl]amino]benzamide with MolForge

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Related Compounds

methyl 5-[[4-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]-2-methylphenoxy]methyl]furan-2-carboxylate
CID 11385690
N-cyclopropyl-3-[[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]amino]-4-methylbenzamide
CID 11419031
3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619
2-bromo-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide
CID 58786259
N-cyclopropyl-4-methyl-3-[[4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]methoxy]benzoyl]amino]benzamide
CID 11167366
2-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyridine-4-carboxamide
CID 47047663
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-(propylamino)pyridine-4-carboxamide
CID 59761490
N-cyclopropyl-3-[[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]amino]-4-methylbenzamide
CID 55786328
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3,4,5-trifluorobenzamide
CID 66631543
N-cyclopropyl-3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 35558311
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416
3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
CID 55878666

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[[3-methyl-4-(1,2,5-thiadiazol-3-ylmethoxy)benzoyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[[3-methyl-4-(1,2,5-thiadiazol-3-ylmethoxy)benzoyl]amino]benzamide (CID 11258737) is N-cyclopropyl-4-methyl-3-[[3-methyl-4-(1,2,5-thiadiazol-3-ylmethoxy)benzoyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[[3-methyl-4-(1,2,5-thiadiazol-3-ylmethoxy)benzoyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[[3-methyl-4-(1,2,5-thiadiazol-3-ylmethoxy)benzoyl]amino]benzamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(OCc2cnsn2)c(C)c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[[3-methyl-4-(1,2,5-thiadiazol-3-ylmethoxy)benzoyl]amino]benzamide?
The InChIKey is OAOUEUXVKOJXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-13-3-4-16(21(27)24-17-6-7-17)10-19(13)25-22(28)15-5-8-20(14(2)9-15)29-12-18-11-23-30-26-18/h3-5,8-11,17H,6-7,12H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-cyclopropyl-4-methyl-3-[[3-methyl-4-(1,2,5-thiadiazol-3-ylmethoxy)benzoyl]amino]benzamide?
N-cyclopropyl-4-methyl-3-[[3-methyl-4-(1,2,5-thiadiazol-3-ylmethoxy)benzoyl]amino]benzamide has a molecular weight of 422.51 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[[3-methyl-4-(1,2,5-thiadiazol-3-ylmethoxy)benzoyl]amino]benzamide is sourced from PubChem (CID 11258737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).