N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-2-methylpropanamide

C15H22N2OS — CID 823948

IUPACN-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-2-methylpropanamide
SMILESCC[C@H](C)c1ccccc1NC(=S)NC(=O)C(C)C
InChIInChI=1S/C15H22N2OS/c1-5-11(4)12-8-6-7-9-13(12)16-15(19)17-14(18)10(2)3/h6-11H,5H2,1-4H3,(H2,16,17,18,19)/t11-/m0/s1
InChIKeyILHCCTJQUVVPBC-NSHDSACASA-N
MW278.42 g/mol
LogP3.67
Rot. Bonds4

About N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-2-methylpropanamide

N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-2-methylpropanamide (PubChem CID 823948) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-2-methylpropanamide
PubChem CID823948
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-2-methylpropanamide
SMILESCC[C@H](C)c1ccccc1NC(=S)NC(=O)C(C)C
InChIInChI=1S/C15H22N2OS/c1-5-11(4)12-8-6-7-9-13(12)16-15(19)17-14(18)10(2)3/h6-11H,5H2,1-4H3,(H2,16,17,18,19)/t11-/m0/s1
InChIKeyILHCCTJQUVVPBC-NSHDSACASA-N
XLogP3.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.67
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-butan-2-ylphenyl)carbamothioyl]acetamide
CID 2937950
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]butanamide
CID 890021
N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-3,5-dimethylbenzamide
CID 918771
N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2,6-dimethoxybenzamide
CID 40654739
N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-4-chlorobenzamide
CID 959760
N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2-methoxybenzamide
CID 959869
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
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
1-(2-butan-2-ylphenyl)-3-prop-1-en-2-ylurea
CID 108910430

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-2-methylpropanamide?
The IUPAC name of N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-2-methylpropanamide (CID 823948) is N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-2-methylpropanamide.
What is the SMILES notation for N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-2-methylpropanamide?
The canonical SMILES for N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-2-methylpropanamide is CC[C@H](C)c1ccccc1NC(=S)NC(=O)C(C)C.
What is the InChIKey of N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-2-methylpropanamide?
The InChIKey is ILHCCTJQUVVPBC-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N2OS/c1-5-11(4)12-8-6-7-9-13(12)16-15(19)17-14(18)10(2)3/h6-11H,5H2,1-4H3,(H2,16,17,18,19)/t11-/m0/s1.
What are the key properties of N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-2-methylpropanamide?
N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-2-methylpropanamide has a molecular weight of 278.42 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-2-methylpropanamide is sourced from PubChem (CID 823948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).