N-[2-[(4-tert-butylbenzoyl)amino]phenyl]thiadiazole-5-carboxamide

C20H20N4O2S — CID 55881819

IUPACN-[2-[(4-tert-butylbenzoyl)amino]phenyl]thiadiazole-5-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2cnns2)cc1
InChIInChI=1S/C20H20N4O2S/c1-20(2,3)14-10-8-13(9-11-14)18(25)22-15-6-4-5-7-16(15)23-19(26)17-12-21-24-27-17/h4-12H,1-3H3,(H,22,25)(H,23,26)
InChIKeyUHHAZMBLHDDLGS-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.34
Rot. Bonds4

About N-[2-[(4-tert-butylbenzoyl)amino]phenyl]thiadiazole-5-carboxamide

N-[2-[(4-tert-butylbenzoyl)amino]phenyl]thiadiazole-5-carboxamide (PubChem CID 55881819) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[2-[(4-tert-butylbenzoyl)amino]phenyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-tert-butylbenzoyl)amino]phenyl]thiadiazole-5-carboxamide
PubChem CID55881819
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-[2-[(4-tert-butylbenzoyl)amino]phenyl]thiadiazole-5-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2cnns2)cc1
InChIInChI=1S/C20H20N4O2S/c1-20(2,3)14-10-8-13(9-11-14)18(25)22-15-6-4-5-7-16(15)23-19(26)17-12-21-24-27-17/h4-12H,1-3H3,(H,22,25)(H,23,26)
InChIKeyUHHAZMBLHDDLGS-UHFFFAOYSA-N
XLogP4.34
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide
CID 10500600
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 31974220
N-(3-hydroxy-2-methylphenyl)thiadiazole-5-carboxamide
CID 65215255
4-tert-butyl-N-(2-methylphenyl)benzamide
CID 139185103
4-tert-butyl-N-[2-[[4-(tetrazol-1-yl)benzoyl]amino]phenyl]benzamide
CID 31971288
3-fluoro-4-(thiadiazole-5-carbonylamino)benzoic acid
CID 55157917
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-hydroxy-4-methylbenzamide
CID 21352752
N-(2-chloro-3-pyridinyl)thiadiazole-5-carboxamide
CID 103622836
4-tert-butyl-N-[2-(chloromethyl)phenyl]benzamide
CID 114298246
N-(2-tert-butylphenyl)-4-iodobenzamide
CID 60628050
2-(thiadiazole-5-carbonylamino)-5-(trifluoromethyl)benzoic acid
CID 66269359
N-(2-propan-2-yl-1,3-dihydroisoindol-4-yl)thiadiazole-5-carboxamide
CID 84601084

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-tert-butylbenzoyl)amino]phenyl]thiadiazole-5-carboxamide?
The IUPAC name of N-[2-[(4-tert-butylbenzoyl)amino]phenyl]thiadiazole-5-carboxamide (CID 55881819) is N-[2-[(4-tert-butylbenzoyl)amino]phenyl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-[(4-tert-butylbenzoyl)amino]phenyl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[2-[(4-tert-butylbenzoyl)amino]phenyl]thiadiazole-5-carboxamide is CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2cnns2)cc1.
What is the InChIKey of N-[2-[(4-tert-butylbenzoyl)amino]phenyl]thiadiazole-5-carboxamide?
The InChIKey is UHHAZMBLHDDLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-20(2,3)14-10-8-13(9-11-14)18(25)22-15-6-4-5-7-16(15)23-19(26)17-12-21-24-27-17/h4-12H,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-[(4-tert-butylbenzoyl)amino]phenyl]thiadiazole-5-carboxamide?
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]thiadiazole-5-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-tert-butylbenzoyl)amino]phenyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 55881819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).