N-[3-benzylsulfonyl-1-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide

C25H35N5O7S — CID 142244238

About N-[3-benzylsulfonyl-1-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide

N-[3-benzylsulfonyl-1-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide (PubChem CID 142244238) has the molecular formula C25H35N5O7S and a molecular weight of 549.65 g/mol. Its IUPAC name is N-[3-benzylsulfonyl-1-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-benzylsulfonyl-1-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide
• PubChem CID: 142244238
• Molecular Formula: C25H35N5O7S
• Molecular Weight: 549.65 g/mol
• Exact Mass: 549.23
• IUPAC Name: N-[3-benzylsulfonyl-1-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide
• SMILES: CC[C@H](NC(=O)C(CS(=O)(=O)Cc1ccccc1)NC(=O)N1CCOCC1)C(=O)c1nnc(C(C)(C)C)o1
• InChI: InChI=1S/C25H35N5O7S/c1-5-18(20(31)22-28-29-23(37-22)25(2,3)4)26-21(32)19(27-24(33)30-11-13-36-14-12-30)16-38(34,35)15-17-9-7-6-8-10-17/h6-10,18-19H,5,11-16H2,1-4H3,(H,26,32)(H,27,33)/t18-,19?/m0/s1
• InChIKey: YILJXJHOJTWBDI-OYKVQYDMSA-N
• XLogP: 1.47
• TPSA: 160.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.65
LogP ≤ 5	1.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-benzylsulfonyl-1-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide?

The IUPAC name of N-[3-benzylsulfonyl-1-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide (CID 142244238) is N-[3-benzylsulfonyl-1-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide.

What is the SMILES notation for N-[3-benzylsulfonyl-1-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide?

The canonical SMILES for N-[3-benzylsulfonyl-1-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide is CC[C@H](NC(=O)C(CS(=O)(=O)Cc1ccccc1)NC(=O)N1CCOCC1)C(=O)c1nnc(C(C)(C)C)o1.

What is the InChIKey of N-[3-benzylsulfonyl-1-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide?

The InChIKey is YILJXJHOJTWBDI-OYKVQYDMSA-N. The full InChI is InChI=1S/C25H35N5O7S/c1-5-18(20(31)22-28-29-23(37-22)25(2,3)4)26-21(32)19(27-24(33)30-11-13-36-14-12-30)16-38(34,35)15-17-9-7-6-8-10-17/h6-10,18-19H,5,11-16H2,1-4H3,(H,26,32)(H,27,33)/t18-,19?/m0/s1.

What are the key properties of N-[3-benzylsulfonyl-1-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide?

N-[3-benzylsulfonyl-1-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide has a molecular weight of 549.65 g/mol, XLogP of 1.47, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-benzylsulfonyl-1-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 142244238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).