(Z)-N-[1-(benzenesulfonamido)-2-methyl-1-oxopropan-2-yl]-3-[(1S,2R,10R,15S)-11-(cyclopropylmethyl)-5,15-dihydroxy-15-methyl-3-oxa-11-azatetracyclo[6.5.1.11,10.04,14]pentadeca-4,6,8(14)-trien-2-yl]-3-hydroxy-2-methylprop-2-enamide

C32H39N3O8S — CID 129014800

About (Z)-N-[1-(benzenesulfonamido)-2-methyl-1-oxopropan-2-yl]-3-[(1S,2R,10R,15S)-11-(cyclopropylmethyl)-5,15-dihydroxy-15-methyl-3-oxa-11-azatetracyclo[6.5.1.11,10.04,14]pentadeca-4,6,8(14)-trien-2-yl]-3-hydroxy-2-methylprop-2-enamide

(Z)-N-[1-(benzenesulfonamido)-2-methyl-1-oxopropan-2-yl]-3-[(1S,2R,10R,15S)-11-(cyclopropylmethyl)-5,15-dihydroxy-15-methyl-3-oxa-11-azatetracyclo[6.5.1.11,10.04,14]pentadeca-4,6,8(14)-trien-2-yl]-3-hydroxy-2-methylprop-2-enamide (PubChem CID 129014800) has the molecular formula C32H39N3O8S and a molecular weight of 625.74 g/mol. Its IUPAC name is (Z)-N-[1-(benzenesulfonamido)-2-methyl-1-oxopropan-2-yl]-3-[(1S,2R,10R,15S)-11-(cyclopropylmethyl)-5,15-dihydroxy-15-methyl-3-oxa-11-azatetracyclo[6.5.1.11,10.04,14]pentadeca-4,6,8(14)-trien-2-yl]-3-hydroxy-2-methylprop-2-enamide.

Molecular Properties

• Compound Name: (Z)-N-[1-(benzenesulfonamido)-2-methyl-1-oxopropan-2-yl]-3-[(1S,2R,10R,15S)-11-(cyclopropylmethyl)-5,15-dihydroxy-15-methyl-3-oxa-11-azatetracyclo[6.5.1.11,10.04,14]pentadeca-4,6,8(14)-trien-2-yl]-3-hydroxy-2-methylprop-2-enamide
• PubChem CID: 129014800
• Molecular Formula: C32H39N3O8S
• Molecular Weight: 625.74 g/mol
• Exact Mass: 625.25
• IUPAC Name: (Z)-N-[1-(benzenesulfonamido)-2-methyl-1-oxopropan-2-yl]-3-[(1S,2R,10R,15S)-11-(cyclopropylmethyl)-5,15-dihydroxy-15-methyl-3-oxa-11-azatetracyclo[6.5.1.11,10.04,14]pentadeca-4,6,8(14)-trien-2-yl]-3-hydroxy-2-methylprop-2-enamide
• SMILES: C/C(C(=O)NC(C)(C)C(=O)NS(=O)(=O)c1ccccc1)=C(/O)[C@@H]1Oc2c(O)ccc3c2[C@@]12CCN(CC1CC1)[C@H](C3)[C@@]2(C)O
• InChI: InChI=1S/C32H39N3O8S/c1-18(28(38)33-30(2,3)29(39)34-44(41,42)21-8-6-5-7-9-21)25(37)27-32-14-15-35(17-19-10-11-19)23(31(32,4)40)16-20-12-13-22(36)26(43-27)24(20)32/h5-9,12-13,19,23,27,36-37,40H,10-11,14-17H2,1-4H3,(H,33,38)(H,34,39)/b25-18-/t23-,27+,31-,32+/m1/s1
• InChIKey: KOPCGZQXROHDBK-FGKBOSCZSA-N
• XLogP: 2.41
• TPSA: 165.50 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	625.74
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[1-(benzenesulfonamido)-2-methyl-1-oxopropan-2-yl]-3-[(1S,2R,10R,15S)-11-(cyclopropylmethyl)-5,15-dihydroxy-15-methyl-3-oxa-11-azatetracyclo[6.5.1.11,10.04,14]pentadeca-4,6,8(14)-trien-2-yl]-3-hydroxy-2-methylprop-2-enamide?

The IUPAC name of (Z)-N-[1-(benzenesulfonamido)-2-methyl-1-oxopropan-2-yl]-3-[(1S,2R,10R,15S)-11-(cyclopropylmethyl)-5,15-dihydroxy-15-methyl-3-oxa-11-azatetracyclo[6.5.1.11,10.04,14]pentadeca-4,6,8(14)-trien-2-yl]-3-hydroxy-2-methylprop-2-enamide (CID 129014800) is (Z)-N-[1-(benzenesulfonamido)-2-methyl-1-oxopropan-2-yl]-3-[(1S,2R,10R,15S)-11-(cyclopropylmethyl)-5,15-dihydroxy-15-methyl-3-oxa-11-azatetracyclo[6.5.1.11,10.04,14]pentadeca-4,6,8(14)-trien-2-yl]-3-hydroxy-2-methylprop-2-enamide.

What is the SMILES notation for (Z)-N-[1-(benzenesulfonamido)-2-methyl-1-oxopropan-2-yl]-3-[(1S,2R,10R,15S)-11-(cyclopropylmethyl)-5,15-dihydroxy-15-methyl-3-oxa-11-azatetracyclo[6.5.1.11,10.04,14]pentadeca-4,6,8(14)-trien-2-yl]-3-hydroxy-2-methylprop-2-enamide?

The canonical SMILES for (Z)-N-[1-(benzenesulfonamido)-2-methyl-1-oxopropan-2-yl]-3-[(1S,2R,10R,15S)-11-(cyclopropylmethyl)-5,15-dihydroxy-15-methyl-3-oxa-11-azatetracyclo[6.5.1.11,10.04,14]pentadeca-4,6,8(14)-trien-2-yl]-3-hydroxy-2-methylprop-2-enamide is C/C(C(=O)NC(C)(C)C(=O)NS(=O)(=O)c1ccccc1)=C(/O)[C@@H]1Oc2c(O)ccc3c2[C@@]12CCN(CC1CC1)[C@H](C3)[C@@]2(C)O.

What is the InChIKey of (Z)-N-[1-(benzenesulfonamido)-2-methyl-1-oxopropan-2-yl]-3-[(1S,2R,10R,15S)-11-(cyclopropylmethyl)-5,15-dihydroxy-15-methyl-3-oxa-11-azatetracyclo[6.5.1.11,10.04,14]pentadeca-4,6,8(14)-trien-2-yl]-3-hydroxy-2-methylprop-2-enamide?

The InChIKey is KOPCGZQXROHDBK-FGKBOSCZSA-N. The full InChI is InChI=1S/C32H39N3O8S/c1-18(28(38)33-30(2,3)29(39)34-44(41,42)21-8-6-5-7-9-21)25(37)27-32-14-15-35(17-19-10-11-19)23(31(32,4)40)16-20-12-13-22(36)26(43-27)24(20)32/h5-9,12-13,19,23,27,36-37,40H,10-11,14-17H2,1-4H3,(H,33,38)(H,34,39)/b25-18-/t23-,27+,31-,32+/m1/s1.

What are the key properties of (Z)-N-[1-(benzenesulfonamido)-2-methyl-1-oxopropan-2-yl]-3-[(1S,2R,10R,15S)-11-(cyclopropylmethyl)-5,15-dihydroxy-15-methyl-3-oxa-11-azatetracyclo[6.5.1.11,10.04,14]pentadeca-4,6,8(14)-trien-2-yl]-3-hydroxy-2-methylprop-2-enamide?

(Z)-N-[1-(benzenesulfonamido)-2-methyl-1-oxopropan-2-yl]-3-[(1S,2R,10R,15S)-11-(cyclopropylmethyl)-5,15-dihydroxy-15-methyl-3-oxa-11-azatetracyclo[6.5.1.11,10.04,14]pentadeca-4,6,8(14)-trien-2-yl]-3-hydroxy-2-methylprop-2-enamide has a molecular weight of 625.74 g/mol, XLogP of 2.41, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-[1-(benzenesulfonamido)-2-methyl-1-oxopropan-2-yl]-3-[(1S,2R,10R,15S)-11-(cyclopropylmethyl)-5,15-dihydroxy-15-methyl-3-oxa-11-azatetracyclo[6.5.1.11,10.04,14]pentadeca-4,6,8(14)-trien-2-yl]-3-hydroxy-2-methylprop-2-enamide is sourced from PubChem (CID 129014800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).