N-[(4-butan-2-ylphenyl)carbamothioyl]-4-ethylbenzamide

C20H24N2OS — CID 17099848

IUPACN-[(4-butan-2-ylphenyl)carbamothioyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NC(=S)Nc2ccc(C(C)CC)cc2)cc1
InChIInChI=1S/C20H24N2OS/c1-4-14(3)16-10-12-18(13-11-16)21-20(24)22-19(23)17-8-6-15(5-2)7-9-17/h6-14H,4-5H2,1-3H3,(H2,21,22,23,24)
InChIKeyYZGPWQNXCSWWSN-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.89
Rot. Bonds5

About N-[(4-butan-2-ylphenyl)carbamothioyl]-4-ethylbenzamide

N-[(4-butan-2-ylphenyl)carbamothioyl]-4-ethylbenzamide (PubChem CID 17099848) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is N-[(4-butan-2-ylphenyl)carbamothioyl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[(4-butan-2-ylphenyl)carbamothioyl]-4-ethylbenzamide
PubChem CID17099848
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC NameN-[(4-butan-2-ylphenyl)carbamothioyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NC(=S)Nc2ccc(C(C)CC)cc2)cc1
InChIInChI=1S/C20H24N2OS/c1-4-14(3)16-10-12-18(13-11-16)21-20(24)22-19(23)17-8-6-15(5-2)7-9-17/h6-14H,4-5H2,1-3H3,(H2,21,22,23,24)
InChIKeyYZGPWQNXCSWWSN-UHFFFAOYSA-N
XLogP4.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[(2S)-butan-2-yl]phenyl]carbamothioyl]-4-fluorobenzamide
CID 881390
N-[[4-[(2R)-butan-2-yl]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 1048185
3-bromo-N-[[4-[(2S)-butan-2-yl]phenyl]carbamothioyl]-4-methoxybenzamide
CID 1048241
4-ethyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 17100484
4-ethyl-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide
CID 1317508
2-[4-[(4-propan-2-ylbenzoyl)carbamothioylamino]phenyl]acetic acid
CID 28686958
N-[(4-ethylphenyl)carbamothioyl]-3,4-dimethylbenzamide
CID 815863
N-[[4-[(2S)-butan-2-yl]phenyl]carbamothioyl]-4-methyl-3-nitrobenzamide
CID 1337935
4-(aminomethyl)-N-(4-butan-2-ylphenyl)benzamide
CID 43702118
N-[(4-acetamidophenyl)carbamothioyl]-4-propan-2-ylbenzamide
CID 17177592
N-[[4-(diethylamino)phenyl]carbamothioyl]-4-propan-2-ylbenzamide
CID 1016533
4-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 17153198

Frequently Asked Questions

What is the IUPAC name of N-[(4-butan-2-ylphenyl)carbamothioyl]-4-ethylbenzamide?
The IUPAC name of N-[(4-butan-2-ylphenyl)carbamothioyl]-4-ethylbenzamide (CID 17099848) is N-[(4-butan-2-ylphenyl)carbamothioyl]-4-ethylbenzamide.
What is the SMILES notation for N-[(4-butan-2-ylphenyl)carbamothioyl]-4-ethylbenzamide?
The canonical SMILES for N-[(4-butan-2-ylphenyl)carbamothioyl]-4-ethylbenzamide is CCc1ccc(C(=O)NC(=S)Nc2ccc(C(C)CC)cc2)cc1.
What is the InChIKey of N-[(4-butan-2-ylphenyl)carbamothioyl]-4-ethylbenzamide?
The InChIKey is YZGPWQNXCSWWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-4-14(3)16-10-12-18(13-11-16)21-20(24)22-19(23)17-8-6-15(5-2)7-9-17/h6-14H,4-5H2,1-3H3,(H2,21,22,23,24).
What are the key properties of N-[(4-butan-2-ylphenyl)carbamothioyl]-4-ethylbenzamide?
N-[(4-butan-2-ylphenyl)carbamothioyl]-4-ethylbenzamide has a molecular weight of 340.49 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butan-2-ylphenyl)carbamothioyl]-4-ethylbenzamide is sourced from PubChem (CID 17099848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).