N-(4-tert-butylphenyl)-4-thiophen-3-ylbenzamide

C21H21NOS — CID 142682988

IUPACN-(4-tert-butylphenyl)-4-thiophen-3-ylbenzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(-c3ccsc3)cc2)cc1
InChIInChI=1S/C21H21NOS/c1-21(2,3)18-8-10-19(11-9-18)22-20(23)16-6-4-15(5-7-16)17-12-13-24-14-17/h4-14H,1-3H3,(H,22,23)
InChIKeyWTGJWQKSTZRPQJ-UHFFFAOYSA-N
MW335.47 g/mol
LogP5.96
Rot. Bonds3

About N-(4-tert-butylphenyl)-4-thiophen-3-ylbenzamide

N-(4-tert-butylphenyl)-4-thiophen-3-ylbenzamide (PubChem CID 142682988) has the molecular formula C21H21NOS and a molecular weight of 335.47 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-thiophen-3-ylbenzamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-thiophen-3-ylbenzamide
PubChem CID142682988
Molecular FormulaC21H21NOS
Molecular Weight335.47 g/mol
Exact Mass335.13
IUPAC NameN-(4-tert-butylphenyl)-4-thiophen-3-ylbenzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(-c3ccsc3)cc2)cc1
InChIInChI=1S/C21H21NOS/c1-21(2,3)18-8-10-19(11-9-18)22-20(23)16-6-4-15(5-7-16)17-12-13-24-14-17/h4-14H,1-3H3,(H,22,23)
InChIKeyWTGJWQKSTZRPQJ-UHFFFAOYSA-N
XLogP5.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.47
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
4-tert-butyl-N-(4-carbamoylphenyl)benzamide
CID 3252757
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]butanediamide
CID 17235325
N-(4-tert-butylphenyl)-3,5-dihydroxybenzamide
CID 103891366
N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 39088297
N-(4-acetylphenyl)thiophene-3-carboxamide
CID 24703153
N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamoyl]-4-methylbenzamide
CID 163690008
4-tert-butyl-N-[4-[[1-(4-phenylphenyl)ethylideneamino]carbamoyl]phenyl]benzamide
CID 3370740
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]pentanediamide
CID 17235324
1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 171423296
ethane;1-(4-thiophen-3-ylphenyl)ethanone
CID 143391114
4-tert-butyl-N-[4-[[[2-(4-phenylphenoxy)acetyl]amino]carbamoyl]phenyl]benzamide
CID 4513398

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-thiophen-3-ylbenzamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-thiophen-3-ylbenzamide (CID 142682988) is N-(4-tert-butylphenyl)-4-thiophen-3-ylbenzamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-thiophen-3-ylbenzamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-thiophen-3-ylbenzamide is CC(C)(C)c1ccc(NC(=O)c2ccc(-c3ccsc3)cc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-thiophen-3-ylbenzamide?
The InChIKey is WTGJWQKSTZRPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NOS/c1-21(2,3)18-8-10-19(11-9-18)22-20(23)16-6-4-15(5-7-16)17-12-13-24-14-17/h4-14H,1-3H3,(H,22,23).
What are the key properties of N-(4-tert-butylphenyl)-4-thiophen-3-ylbenzamide?
N-(4-tert-butylphenyl)-4-thiophen-3-ylbenzamide has a molecular weight of 335.47 g/mol, XLogP of 5.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-thiophen-3-ylbenzamide is sourced from PubChem (CID 142682988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).