N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-3,5-dimethoxybenzamide

C20H20N4O4S — CID 17311565

IUPACN-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-3,5-dimethoxybenzamide
SMILESCCc1nnc(NC(=O)c2ccccc2NC(=O)c2cc(OC)cc(OC)c2)s1
InChIInChI=1S/C20H20N4O4S/c1-4-17-23-24-20(29-17)22-19(26)15-7-5-6-8-16(15)21-18(25)12-9-13(27-2)11-14(10-12)28-3/h5-11H,4H2,1-3H3,(H,21,25)(H,22,24,26)
InChIKeyGUULEEKZNUIAKF-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.62
Rot. Bonds7

About N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-3,5-dimethoxybenzamide

N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-3,5-dimethoxybenzamide (PubChem CID 17311565) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-3,5-dimethoxybenzamide
PubChem CID17311565
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC NameN-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-3,5-dimethoxybenzamide
SMILESCCc1nnc(NC(=O)c2ccccc2NC(=O)c2cc(OC)cc(OC)c2)s1
InChIInChI=1S/C20H20N4O4S/c1-4-17-23-24-20(29-17)22-19(26)15-7-5-6-8-16(15)21-18(25)12-9-13(27-2)11-14(10-12)28-3/h5-11H,4H2,1-3H3,(H,21,25)(H,22,24,26)
InChIKeyGUULEEKZNUIAKF-UHFFFAOYSA-N
XLogP3.62
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-methylbenzoyl)amino]benzamide
CID 17311355
3,5-dimethoxy-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 17361080
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide
CID 1303655
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-nitrobenzoyl)amino]benzamide
CID 17311359
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide
CID 17312168
2,6-dichloro-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 17311642
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3-methylbutanoylamino)benzamide
CID 17311855
3,5-dimethoxy-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1077808
2-[(4-methoxybenzoyl)amino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 45021560
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 17311918
2-[(4-methoxybenzoyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 45022028
2-(cyanomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82179672

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-3,5-dimethoxybenzamide (CID 17311565) is N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-3,5-dimethoxybenzamide is CCc1nnc(NC(=O)c2ccccc2NC(=O)c2cc(OC)cc(OC)c2)s1.
What is the InChIKey of N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-3,5-dimethoxybenzamide?
The InChIKey is GUULEEKZNUIAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-4-17-23-24-20(29-17)22-19(26)15-7-5-6-8-16(15)21-18(25)12-9-13(27-2)11-14(10-12)28-3/h5-11H,4H2,1-3H3,(H,21,25)(H,22,24,26).
What are the key properties of N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-3,5-dimethoxybenzamide?
N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-3,5-dimethoxybenzamide has a molecular weight of 412.47 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 17311565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).