N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-3,5-dimethylbenzamide

C20H24N2OS — CID 918771

IUPACN-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-3,5-dimethylbenzamide
SMILESCC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C20H24N2OS/c1-5-15(4)17-8-6-7-9-18(17)21-20(24)22-19(23)16-11-13(2)10-14(3)12-16/h6-12,15H,5H2,1-4H3,(H2,21,22,23,24)/t15-/m1/s1
InChIKeyGEZURQONAXKFNK-OAHLLOKOSA-N
MW340.49 g/mol
LogP4.94
Rot. Bonds4

About N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-3,5-dimethylbenzamide

N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-3,5-dimethylbenzamide (PubChem CID 918771) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-3,5-dimethylbenzamide
PubChem CID918771
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC NameN-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-3,5-dimethylbenzamide
SMILESCC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C20H24N2OS/c1-5-15(4)17-8-6-7-9-18(17)21-20(24)22-19(23)16-11-13(2)10-14(3)12-16/h6-12,15H,5H2,1-4H3,(H2,21,22,23,24)/t15-/m1/s1
InChIKeyGEZURQONAXKFNK-OAHLLOKOSA-N
XLogP4.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.94
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-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-4-chlorobenzamide
CID 959760
N-[(2-butan-2-ylphenyl)carbamothioyl]acetamide
CID 2937950
N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-2-methylpropanamide
CID 823948
N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2,6-dimethoxybenzamide
CID 40654739
N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2-methoxybenzamide
CID 959869
N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]butanamide
CID 890021
N-[(2-butan-2-ylphenyl)carbamothioyl]-2-methoxy-3-methylbenzamide
CID 17100406
N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-2,5-diiodobenzamide
CID 124554564
N-[(2-butan-2-ylphenyl)carbamothioyl]-2-nitrobenzamide
CID 2940125
2-bromo-N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-3,5-diiodobenzamide
CID 124587303
N-[2-[(2S)-butan-2-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide
CID 2669248
N-[2-[(2S)-butan-2-yl]phenyl]-3,5-dimethoxybenzamide
CID 2670827

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-3,5-dimethylbenzamide (CID 918771) is N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-3,5-dimethylbenzamide is CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1cc(C)cc(C)c1.
What is the InChIKey of N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-3,5-dimethylbenzamide?
The InChIKey is GEZURQONAXKFNK-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-5-15(4)17-8-6-7-9-18(17)21-20(24)22-19(23)16-11-13(2)10-14(3)12-16/h6-12,15H,5H2,1-4H3,(H2,21,22,23,24)/t15-/m1/s1.
What are the key properties of N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-3,5-dimethylbenzamide?
N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-3,5-dimethylbenzamide has a molecular weight of 340.49 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 918771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).