3-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide

C24H29N5O4S — CID 42737335

IUPAC3-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCOc1ccc(NC(=O)N(CCC(=O)Nc2nnc(-c3ccccc3)s2)CC(C)C)c(OC)c1
InChIInChI=1S/C24H29N5O4S/c1-16(2)15-29(24(31)25-19-11-10-18(32-3)14-20(19)33-4)13-12-21(30)26-23-28-27-22(34-23)17-8-6-5-7-9-17/h5-11,14,16H,12-13,15H2,1-4H3,(H,25,31)(H,26,28,30)
InChIKeyPIMNYLYWTYPCTK-UHFFFAOYSA-N
MW483.59 g/mol
LogP4.74
Rot. Bonds10

About 3-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide

3-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 42737335) has the molecular formula C24H29N5O4S and a molecular weight of 483.59 g/mol. Its IUPAC name is 3-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID42737335
Molecular FormulaC24H29N5O4S
Molecular Weight483.59 g/mol
Exact Mass483.19
IUPAC Name3-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCOc1ccc(NC(=O)N(CCC(=O)Nc2nnc(-c3ccccc3)s2)CC(C)C)c(OC)c1
InChIInChI=1S/C24H29N5O4S/c1-16(2)15-29(24(31)25-19-11-10-18(32-3)14-20(19)33-4)13-12-21(30)26-23-28-27-22(34-23)17-8-6-5-7-9-17/h5-11,14,16H,12-13,15H2,1-4H3,(H,25,31)(H,26,28,30)
InChIKeyPIMNYLYWTYPCTK-UHFFFAOYSA-N
XLogP4.74
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,3R)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 93100394
(2R)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 92517009
2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 3485822
3-[benzyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]-N-(1-phenylethyl)propanamide
CID 42699861
N-butan-2-yl-4-methoxy-N-[3-oxo-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide
CID 42737063
2-methoxy-N-[3-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-N-propylbenzamide
CID 42736509
3,5-dimethoxy-N-[3-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-N-(2-phenylethyl)benzamide
CID 42737171
3-(dimethylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 19256762
3-[(3-ethylphenyl)carbamoyl-propylamino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 42736670
N-benzyl-N-[3-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]cyclohexanecarboxamide
CID 42736949
2-(2-methoxyphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1398449
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 3293162

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide (CID 42737335) is 3-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide is COc1ccc(NC(=O)N(CCC(=O)Nc2nnc(-c3ccccc3)s2)CC(C)C)c(OC)c1.
What is the InChIKey of 3-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is PIMNYLYWTYPCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4S/c1-16(2)15-29(24(31)25-19-11-10-18(32-3)14-20(19)33-4)13-12-21(30)26-23-28-27-22(34-23)17-8-6-5-7-9-17/h5-11,14,16H,12-13,15H2,1-4H3,(H,25,31)(H,26,28,30).
What are the key properties of 3-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide?
3-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 483.59 g/mol, XLogP of 4.74, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 42737335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).