(7Z)-18-hydroxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-3,14,16-triazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

About (7Z)-18-hydroxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-3,14,16-triazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

(7Z)-18-hydroxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-3,14,16-triazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide (PubChem CID 142701030) has the molecular formula C21H32N4O6S and a molecular weight of 468.58 g/mol. Its IUPAC name is (7Z)-18-hydroxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-3,14,16-triazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide.

Molecular Properties

Compound Name	(7Z)-18-hydroxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-3,14,16-triazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide
PubChem CID	142701030
Molecular Formula	C21H32N4O6S
Molecular Weight	468.58 g/mol
Exact Mass	468.20
IUPAC Name	(7Z)-18-hydroxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-3,14,16-triazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide
SMILES	CC1(S(=O)(=O)NC(=O)C23CC2/C=C\CCCCCNC(=O)N2CC(O)CC2C(=O)N3)CC1
InChI	InChI=1S/C21H32N4O6S/c1-20(8-9-20)32(30,31)24-18(28)21-12-14(21)7-5-3-2-4-6-10-22-19(29)25-13-15(26)11-16(25)17(27)23-21/h5,7,14-16,26H,2-4,6,8-13H2,1H3,(H,22,29)(H,23,27)(H,24,28)/b7-5-
InChIKey	RLBTYHDLYRWESJ-ALCCZGGFSA-N
XLogP	0.13
TPSA	144.91 Å²
H-Bond Donors	4
H-Bond Acceptors	6
Rotatable Bonds	3
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.58
LogP ≤ 5	0.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (7Z)-18-hydroxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-3,14,16-triazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide?

The IUPAC name of (7Z)-18-hydroxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-3,14,16-triazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide (CID 142701030) is (7Z)-18-hydroxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-3,14,16-triazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide.

What is the SMILES notation for (7Z)-18-hydroxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-3,14,16-triazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide?

The canonical SMILES for (7Z)-18-hydroxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-3,14,16-triazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide is CC1(S(=O)(=O)NC(=O)C23CC2/C=C\CCCCCNC(=O)N2CC(O)CC2C(=O)N3)CC1.

What is the InChIKey of (7Z)-18-hydroxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-3,14,16-triazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide?

The InChIKey is RLBTYHDLYRWESJ-ALCCZGGFSA-N. The full InChI is InChI=1S/C21H32N4O6S/c1-20(8-9-20)32(30,31)24-18(28)21-12-14(21)7-5-3-2-4-6-10-22-19(29)25-13-15(26)11-16(25)17(27)23-21/h5,7,14-16,26H,2-4,6,8-13H2,1H3,(H,22,29)(H,23,27)(H,24,28)/b7-5-.

What are the key properties of (7Z)-18-hydroxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-3,14,16-triazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide?

(7Z)-18-hydroxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-3,14,16-triazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide has a molecular weight of 468.58 g/mol, XLogP of 0.13, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (7Z)-18-hydroxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-3,14,16-triazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide is sourced from PubChem (CID 142701030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).