(2R)-N-cyclohexyl-2-(furan-2-yl)-2-(4-methyl-N-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]anilino)acetamide

C27H32N4O5S — CID 25309285

About (2R)-N-cyclohexyl-2-(furan-2-yl)-2-(4-methyl-N-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]anilino)acetamide

(2R)-N-cyclohexyl-2-(furan-2-yl)-2-(4-methyl-N-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]anilino)acetamide (PubChem CID 25309285) has the molecular formula C27H32N4O5S and a molecular weight of 524.64 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-(furan-2-yl)-2-(4-methyl-N-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]anilino)acetamide.

Molecular Properties

• Compound Name: (2R)-N-cyclohexyl-2-(furan-2-yl)-2-(4-methyl-N-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]anilino)acetamide
• PubChem CID: 25309285
• Molecular Formula: C27H32N4O5S
• Molecular Weight: 524.64 g/mol
• Exact Mass: 524.21
• IUPAC Name: (2R)-N-cyclohexyl-2-(furan-2-yl)-2-(4-methyl-N-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]anilino)acetamide
• SMILES: Cc1ccc(N(C(=O)CSCC(=O)Nc2cc(C)on2)[C@@H](C(=O)NC2CCCCC2)c2ccco2)cc1
• InChI: InChI=1S/C27H32N4O5S/c1-18-10-12-21(13-11-18)31(25(33)17-37-16-24(32)29-23-15-19(2)36-30-23)26(22-9-6-14-35-22)27(34)28-20-7-4-3-5-8-20/h6,9-15,20,26H,3-5,7-8,16-17H2,1-2H3,(H,28,34)(H,29,30,32)/t26-/m1/s1
• InChIKey: RAHQJYYBSREKSY-AREMUKBSSA-N
• XLogP: 4.78
• TPSA: 117.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.64
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-(furan-2-yl)-2-(4-methyl-N-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]anilino)acetamide?

The IUPAC name of (2R)-N-cyclohexyl-2-(furan-2-yl)-2-(4-methyl-N-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]anilino)acetamide (CID 25309285) is (2R)-N-cyclohexyl-2-(furan-2-yl)-2-(4-methyl-N-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]anilino)acetamide.

What is the SMILES notation for (2R)-N-cyclohexyl-2-(furan-2-yl)-2-(4-methyl-N-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]anilino)acetamide?

The canonical SMILES for (2R)-N-cyclohexyl-2-(furan-2-yl)-2-(4-methyl-N-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]anilino)acetamide is Cc1ccc(N(C(=O)CSCC(=O)Nc2cc(C)on2)[C@@H](C(=O)NC2CCCCC2)c2ccco2)cc1.

What is the InChIKey of (2R)-N-cyclohexyl-2-(furan-2-yl)-2-(4-methyl-N-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]anilino)acetamide?

The InChIKey is RAHQJYYBSREKSY-AREMUKBSSA-N. The full InChI is InChI=1S/C27H32N4O5S/c1-18-10-12-21(13-11-18)31(25(33)17-37-16-24(32)29-23-15-19(2)36-30-23)26(22-9-6-14-35-22)27(34)28-20-7-4-3-5-8-20/h6,9-15,20,26H,3-5,7-8,16-17H2,1-2H3,(H,28,34)(H,29,30,32)/t26-/m1/s1.

What are the key properties of (2R)-N-cyclohexyl-2-(furan-2-yl)-2-(4-methyl-N-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]anilino)acetamide?

(2R)-N-cyclohexyl-2-(furan-2-yl)-2-(4-methyl-N-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]anilino)acetamide has a molecular weight of 524.64 g/mol, XLogP of 4.78, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-cyclohexyl-2-(furan-2-yl)-2-(4-methyl-N-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]anilino)acetamide is sourced from PubChem (CID 25309285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).