(2R)-2-[(4-acetamidophenyl)sulfanylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide

C26H25N3O3S2 — CID 129227637

IUPAC(2R)-2-[(4-acetamidophenyl)sulfanylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(=O)Nc1ccc(SN[C@@H](C(=O)N(Cc2ccco2)Cc2cccs2)c2ccccc2)cc1
InChIInChI=1S/C26H25N3O3S2/c1-19(30)27-21-11-13-23(14-12-21)34-28-25(20-7-3-2-4-8-20)26(31)29(17-22-9-5-15-32-22)18-24-10-6-16-33-24/h2-16,25,28H,17-18H2,1H3,(H,27,30)/t25-/m1/s1
InChIKeyWSXMFLUBWXXHQP-RUZDIDTESA-N
MW491.64 g/mol
LogP5.87
Rot. Bonds10

About (2R)-2-[(4-acetamidophenyl)sulfanylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide

(2R)-2-[(4-acetamidophenyl)sulfanylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 129227637) has the molecular formula C26H25N3O3S2 and a molecular weight of 491.64 g/mol. Its IUPAC name is (2R)-2-[(4-acetamidophenyl)sulfanylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name(2R)-2-[(4-acetamidophenyl)sulfanylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID129227637
Molecular FormulaC26H25N3O3S2
Molecular Weight491.64 g/mol
Exact Mass491.13
IUPAC Name(2R)-2-[(4-acetamidophenyl)sulfanylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(=O)Nc1ccc(SN[C@@H](C(=O)N(Cc2ccco2)Cc2cccs2)c2ccccc2)cc1
InChIInChI=1S/C26H25N3O3S2/c1-19(30)27-21-11-13-23(14-12-21)34-28-25(20-7-3-2-4-8-20)26(31)29(17-22-9-5-15-32-22)18-24-10-6-16-33-24/h2-16,25,28H,17-18H2,1H3,(H,27,30)/t25-/m1/s1
InChIKeyWSXMFLUBWXXHQP-RUZDIDTESA-N
XLogP5.87
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.64
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(4-acetamidophenyl)methylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;(2S)-2-[(4-acetamidophenyl)methylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;(2R)-N-(furan-2-ylmethyl)-2-phenyl-4-(4-propanoylphenyl)-N-(thiophen-2-ylmethyl)butanamide;(2S)-N-(furan-2-ylmethyl)-2-phenyl-4-(4-propanoylphenyl)-N-(thiophen-2-ylmethyl)butanamide;4-[[[(1R)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylbenzamide;4-[[[(1S)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylbenzamide
CID 159718164
2-bromo-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55125927
2-amino-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 54869064
3-(3-chloro-4-methylphenyl)-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 24528930
3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropanoic acid
CID 62232437
3-(ethylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 62839379
2-[[2-(4-acetamidophenyl)sulfanylacetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide
CID 24518090
(2R)-2-amino-N-(furan-2-ylmethyl)-4-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 104903002
N-benzyl-2-[furan-2-ylmethyl-[(4-methylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3572945
(2S)-2-amino-N-(furan-2-ylmethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide
CID 61164432
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)thiourea
CID 7954747

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-acetamidophenyl)sulfanylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of (2R)-2-[(4-acetamidophenyl)sulfanylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide (CID 129227637) is (2R)-2-[(4-acetamidophenyl)sulfanylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for (2R)-2-[(4-acetamidophenyl)sulfanylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for (2R)-2-[(4-acetamidophenyl)sulfanylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide is CC(=O)Nc1ccc(SN[C@@H](C(=O)N(Cc2ccco2)Cc2cccs2)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-[(4-acetamidophenyl)sulfanylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is WSXMFLUBWXXHQP-RUZDIDTESA-N. The full InChI is InChI=1S/C26H25N3O3S2/c1-19(30)27-21-11-13-23(14-12-21)34-28-25(20-7-3-2-4-8-20)26(31)29(17-22-9-5-15-32-22)18-24-10-6-16-33-24/h2-16,25,28H,17-18H2,1H3,(H,27,30)/t25-/m1/s1.
What are the key properties of (2R)-2-[(4-acetamidophenyl)sulfanylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide?
(2R)-2-[(4-acetamidophenyl)sulfanylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 491.64 g/mol, XLogP of 5.87, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-acetamidophenyl)sulfanylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 129227637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).