N-[(4-propan-2-ylphenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C16H23NOS — CID 107027297

IUPACN-[(4-propan-2-ylphenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCC(C)c1ccc(CNC(=O)CC2(CS)CC2)cc1
InChIInChI=1S/C16H23NOS/c1-12(2)14-5-3-13(4-6-14)10-17-15(18)9-16(11-19)7-8-16/h3-6,12,19H,7-11H2,1-2H3,(H,17,18)
InChIKeyBEGDASCSBWQWCC-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.53
Rot. Bonds6

About N-[(4-propan-2-ylphenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

N-[(4-propan-2-ylphenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107027297) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[(4-propan-2-ylphenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-[(4-propan-2-ylphenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107027297
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC NameN-[(4-propan-2-ylphenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCC(C)c1ccc(CNC(=O)CC2(CS)CC2)cc1
InChIInChI=1S/C16H23NOS/c1-12(2)14-5-3-13(4-6-14)10-17-15(18)9-16(11-19)7-8-16/h3-6,12,19H,7-11H2,1-2H3,(H,17,18)
InChIKeyBEGDASCSBWQWCC-UHFFFAOYSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107025917
N-(pyridin-3-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107021957
1-(hydroxymethyl)-N-[(4-propan-2-ylphenyl)methyl]cyclobutane-1-carboxamide
CID 115184042
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 59487519
N-[(4-propan-2-ylphenyl)methyl]carbamoyl chloride
CID 115194584
2-methyl-2-[(4-propan-2-ylphenyl)methylcarbamoylamino]propanoic acid
CID 43089477
2-[(2-methylpropan-2-yl)oxy]-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 112605367
2-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 112685779
N-[(4-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)propanediamide
CID 108947063
4-methoxy-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 119716391
2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3-thiazol-5-ylmethyl)acetamide
CID 107035938
N-[(4-fluorophenyl)methyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
CID 5122377

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylphenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-[(4-propan-2-ylphenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107027297) is N-[(4-propan-2-ylphenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-[(4-propan-2-ylphenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-[(4-propan-2-ylphenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is CC(C)c1ccc(CNC(=O)CC2(CS)CC2)cc1.
What is the InChIKey of N-[(4-propan-2-ylphenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is BEGDASCSBWQWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-12(2)14-5-3-13(4-6-14)10-17-15(18)9-16(11-19)7-8-16/h3-6,12,19H,7-11H2,1-2H3,(H,17,18).
What are the key properties of N-[(4-propan-2-ylphenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-[(4-propan-2-ylphenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 277.43 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylphenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107027297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).