N-(2-carbamothioylphenyl)-2-(2-methylpentoxy)propanamide

C16H24N2O2S — CID 103283846

IUPACN-(2-carbamothioylphenyl)-2-(2-methylpentoxy)propanamide
SMILESCCCC(C)COC(C)C(=O)Nc1ccccc1C(N)=S
InChIInChI=1S/C16H24N2O2S/c1-4-7-11(2)10-20-12(3)16(19)18-14-9-6-5-8-13(14)15(17)21/h5-6,8-9,11-12H,4,7,10H2,1-3H3,(H2,17,21)(H,18,19)
InChIKeyRXOMWEUGSFOPAG-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.10
Rot. Bonds8

About N-(2-carbamothioylphenyl)-2-(2-methylpentoxy)propanamide

N-(2-carbamothioylphenyl)-2-(2-methylpentoxy)propanamide (PubChem CID 103283846) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(2-carbamothioylphenyl)-2-(2-methylpentoxy)propanamide.

Molecular Properties

Compound NameN-(2-carbamothioylphenyl)-2-(2-methylpentoxy)propanamide
PubChem CID103283846
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-(2-carbamothioylphenyl)-2-(2-methylpentoxy)propanamide
SMILESCCCC(C)COC(C)C(=O)Nc1ccccc1C(N)=S
InChIInChI=1S/C16H24N2O2S/c1-4-7-11(2)10-20-12(3)16(19)18-14-9-6-5-8-13(14)15(17)21/h5-6,8-9,11-12H,4,7,10H2,1-3H3,(H2,17,21)(H,18,19)
InChIKeyRXOMWEUGSFOPAG-UHFFFAOYSA-N
XLogP3.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-butoxy-N-(2-carbamothioylphenyl)propanamide
CID 43267700
N-(2-carbamothioylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 43105337
N-(2-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]propanamide
CID 43128232
N-(4-amino-2-methoxyphenyl)-2-(2-methylpentoxy)propanamide
CID 103282970
[(2S)-1-(2-carbamoylanilino)-1-oxopropan-2-yl] acetate
CID 11075874
N-(2-carbamothioylphenyl)-2-(3-methylbutoxy)acetamide
CID 24707112
2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 1336329
methyl 2-(2-methylpentanoylamino)benzoate
CID 2904418
N-(2-acetylphenyl)-2-methylpentanamide
CID 43183491
N-(2-carbamothioylphenyl)-2-(2-propoxyethoxy)acetamide
CID 63685097
2-(2-ethylbutanoylamino)benzamide
CID 1214109
2-(2-bromopropanoylamino)benzamide
CID 14588064

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylphenyl)-2-(2-methylpentoxy)propanamide?
The IUPAC name of N-(2-carbamothioylphenyl)-2-(2-methylpentoxy)propanamide (CID 103283846) is N-(2-carbamothioylphenyl)-2-(2-methylpentoxy)propanamide.
What is the SMILES notation for N-(2-carbamothioylphenyl)-2-(2-methylpentoxy)propanamide?
The canonical SMILES for N-(2-carbamothioylphenyl)-2-(2-methylpentoxy)propanamide is CCCC(C)COC(C)C(=O)Nc1ccccc1C(N)=S.
What is the InChIKey of N-(2-carbamothioylphenyl)-2-(2-methylpentoxy)propanamide?
The InChIKey is RXOMWEUGSFOPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-4-7-11(2)10-20-12(3)16(19)18-14-9-6-5-8-13(14)15(17)21/h5-6,8-9,11-12H,4,7,10H2,1-3H3,(H2,17,21)(H,18,19).
What are the key properties of N-(2-carbamothioylphenyl)-2-(2-methylpentoxy)propanamide?
N-(2-carbamothioylphenyl)-2-(2-methylpentoxy)propanamide has a molecular weight of 308.45 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylphenyl)-2-(2-methylpentoxy)propanamide is sourced from PubChem (CID 103283846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).