2-(4-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide

C18H16ClNO3S — CID 112767047

IUPAC2-(4-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1ccc(Cl)cc1)N(Cc1ccco1)Cc1ccco1
InChIInChI=1S/C18H16ClNO3S/c19-14-5-7-17(8-6-14)24-13-18(21)20(11-15-3-1-9-22-15)12-16-4-2-10-23-16/h1-10H,11-13H2
InChIKeyVONQGSUIWISETK-UHFFFAOYSA-N
MW361.85 g/mol
LogP4.85
Rot. Bonds7

About 2-(4-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide

2-(4-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide (PubChem CID 112767047) has the molecular formula C18H16ClNO3S and a molecular weight of 361.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide
PubChem CID112767047
Molecular FormulaC18H16ClNO3S
Molecular Weight361.85 g/mol
Exact Mass361.05
IUPAC Name2-(4-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1ccc(Cl)cc1)N(Cc1ccco1)Cc1ccco1
InChIInChI=1S/C18H16ClNO3S/c19-14-5-7-17(8-6-14)24-13-18(21)20(11-15-3-1-9-22-15)12-16-4-2-10-23-16/h1-10H,11-13H2
InChIKeyVONQGSUIWISETK-UHFFFAOYSA-N
XLogP4.85
TPSA46.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide
CID 55340134
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 78806406
N-benzyl-N-(furan-2-ylmethyl)-2-[(2-phenylsulfanylacetyl)-prop-2-enylamino]acetamide
CID 3634552
2-[[2-(4-acetamidophenyl)sulfanylacetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide
CID 24518090
2-[carboxymethyl-[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid
CID 63650372
2-amino-N-(4-chlorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 39364356
2-(4-acetyl-2-fluorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide
CID 51152684
N-benzyl-3-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 112761159
2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-phenylacetamide
CID 55445056
2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide
CID 86840515
N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)propanamide
CID 4307510
3-(4-bromophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide
CID 60567081

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide (CID 112767047) is 2-(4-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide is O=C(CSc1ccc(Cl)cc1)N(Cc1ccco1)Cc1ccco1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide?
The InChIKey is VONQGSUIWISETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3S/c19-14-5-7-17(8-6-14)24-13-18(21)20(11-15-3-1-9-22-15)12-16-4-2-10-23-16/h1-10H,11-13H2.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide?
2-(4-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide has a molecular weight of 361.85 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 112767047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).