(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

C26H27ClN2O4S — CID 28543077

About (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 28543077) has the molecular formula C26H27ClN2O4S and a molecular weight of 499.03 g/mol. Its IUPAC name is (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

• Compound Name: (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
• PubChem CID: 28543077
• Molecular Formula: C26H27ClN2O4S
• Molecular Weight: 499.03 g/mol
• Exact Mass: 498.14
• IUPAC Name: (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
• SMILES: COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCc2ccccc21
• InChI: InChI=1S/C26H27ClN2O4S/c1-33-24-15-14-20(27)17-25(24)34(31,32)29-23(16-18-8-3-2-4-9-18)26(30)28-22-13-7-11-19-10-5-6-12-21(19)22/h2-6,8-10,12,14-15,17,22-23,29H,7,11,13,16H2,1H3,(H,28,30)/t22-,23-/m0/s1
• InChIKey: ILUOIZGJQKYQMF-GOTSBHOMSA-N
• XLogP: 4.43
• TPSA: 84.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.03
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?

The IUPAC name of (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 28543077) is (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

What is the SMILES notation for (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?

The canonical SMILES for (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCc2ccccc21.

What is the InChIKey of (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?

The InChIKey is ILUOIZGJQKYQMF-GOTSBHOMSA-N. The full InChI is InChI=1S/C26H27ClN2O4S/c1-33-24-15-14-20(27)17-25(24)34(31,32)29-23(16-18-8-3-2-4-9-18)26(30)28-22-13-7-11-19-10-5-6-12-21(19)22/h2-6,8-10,12,14-15,17,22-23,29H,7,11,13,16H2,1H3,(H,28,30)/t22-,23-/m0/s1.

What are the key properties of (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?

(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 499.03 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 28543077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).