2-cyclopentyl-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide

C16H21NOS2 — CID 78811101

IUPAC2-cyclopentyl-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide
SMILESO=C(CC1CCCC1)Nc1cccc(C2SCCS2)c1
InChIInChI=1S/C16H21NOS2/c18-15(10-12-4-1-2-5-12)17-14-7-3-6-13(11-14)16-19-8-9-20-16/h3,6-7,11-12,16H,1-2,4-5,8-10H2,(H,17,18)
InChIKeyUTBORWFAARKDQE-UHFFFAOYSA-N
MW307.48 g/mol
LogP4.68
Rot. Bonds4

About 2-cyclopentyl-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide

2-cyclopentyl-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide (PubChem CID 78811101) has the molecular formula C16H21NOS2 and a molecular weight of 307.48 g/mol. Its IUPAC name is 2-cyclopentyl-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide
PubChem CID78811101
Molecular FormulaC16H21NOS2
Molecular Weight307.48 g/mol
Exact Mass307.11
IUPAC Name2-cyclopentyl-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide
SMILESO=C(CC1CCCC1)Nc1cccc(C2SCCS2)c1
InChIInChI=1S/C16H21NOS2/c18-15(10-12-4-1-2-5-12)17-14-7-3-6-13(11-14)16-19-8-9-20-16/h3,6-7,11-12,16H,1-2,4-5,8-10H2,(H,17,18)
InChIKeyUTBORWFAARKDQE-UHFFFAOYSA-N
XLogP4.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide
CID 26380105
N-[3-(1,3-dithiolan-2-yl)phenyl]-2-methylsulfanylacetamide
CID 35368286
N-[3-(1,3-dithian-2-yl)phenyl]-2-methoxyacetamide
CID 32967833
3-amino-N-[3-(1,3-dithiolan-2-yl)phenyl]butanamide;hydrochloride
CID 119692147
3-[(2-cycloheptylacetyl)amino]benzoic acid
CID 115909872
N-[3-(bromomethyl)phenyl]-2-cyclopentylacetamide
CID 114307300
2-cyclohexyl-N-(3-phenylphenyl)acetamide
CID 53348155
N-[3-[(2-cyclohexylacetyl)amino]phenyl]cyclopropanecarboxamide
CID 46570451
N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 27843051
N-[3-[(2-cyclopentylacetyl)amino]phenyl]benzamide
CID 54786112
N-(3-cyanophenyl)-2-cycloheptylacetamide
CID 115679873
2-cyclohexyl-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide
CID 106910808

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide (CID 78811101) is 2-cyclopentyl-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide is O=C(CC1CCCC1)Nc1cccc(C2SCCS2)c1.
What is the InChIKey of 2-cyclopentyl-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide?
The InChIKey is UTBORWFAARKDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS2/c18-15(10-12-4-1-2-5-12)17-14-7-3-6-13(11-14)16-19-8-9-20-16/h3,6-7,11-12,16H,1-2,4-5,8-10H2,(H,17,18).
What are the key properties of 2-cyclopentyl-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide?
2-cyclopentyl-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide has a molecular weight of 307.48 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide is sourced from PubChem (CID 78811101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).