17-methoxy-N,N-dimethyl-6,13-dioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-8-sulfonamide

C17H26N4O6S — CID 154569098

IUPAC17-methoxy-N,N-dimethyl-6,13-dioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-8-sulfonamide
SMILESCOc1ccc2c(c1)OCCNC(=O)CN(S(=O)(=O)N(C)C)CCCNC2=O
InChIInChI=1S/C17H26N4O6S/c1-20(2)28(24,25)21-9-4-7-19-17(23)14-6-5-13(26-3)11-15(14)27-10-8-18-16(22)12-21/h5-6,11H,4,7-10,12H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyDLIMDPOZWAVLNQ-UHFFFAOYSA-N
MW414.48 g/mol
LogP-0.57
Rot. Bonds3

About 17-methoxy-N,N-dimethyl-6,13-dioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-8-sulfonamide

17-methoxy-N,N-dimethyl-6,13-dioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-8-sulfonamide (PubChem CID 154569098) has the molecular formula C17H26N4O6S and a molecular weight of 414.48 g/mol. Its IUPAC name is 17-methoxy-N,N-dimethyl-6,13-dioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-8-sulfonamide.

Molecular Properties

Compound Name17-methoxy-N,N-dimethyl-6,13-dioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-8-sulfonamide
PubChem CID154569098
Molecular FormulaC17H26N4O6S
Molecular Weight414.48 g/mol
Exact Mass414.16
IUPAC Name17-methoxy-N,N-dimethyl-6,13-dioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-8-sulfonamide
SMILESCOc1ccc2c(c1)OCCNC(=O)CN(S(=O)(=O)N(C)C)CCCNC2=O
InChIInChI=1S/C17H26N4O6S/c1-20(2)28(24,25)21-9-4-7-19-17(23)14-6-5-13(26-3)11-15(14)27-10-8-18-16(22)12-21/h5-6,11H,4,7-10,12H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyDLIMDPOZWAVLNQ-UHFFFAOYSA-N
XLogP-0.57
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 17-methoxy-N,N-dimethyl-6,13-dioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-8-sulfonamide with MolForge

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Related Compounds

8-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-17-methoxy-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-6,13-dione
CID 154567310
8-(1-cyclohexylpiperidine-3-carbonyl)-17-methoxy-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-6,13-dione
CID 154570948
17-methoxy-8-[3-(1H-pyrazol-4-yl)benzoyl]-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-6,13-dione
CID 154565378
formic acid;17-methoxy-8-[2-(6-methyl-2-pyridinyl)ethyl]-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-6,13-dione
CID 163335189
17-methoxy-8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-6,13-dione
CID 157014434
acetic acid;8-[2-[(1S)-1-amino-3-methylbutyl]-1,3-thiazole-4-carbonyl]-17-methoxy-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-6,13-dione
CID 163340956
formic acid;N-[(7S)-17-methoxy-6,13-dioxo-2-oxa-5,12-diazabicyclo[12.4.0]octadeca-1(14),15,17-trien-7-yl]benzenesulfonamide
CID 171322828
2-methoxy-N-[(7S)-17-methoxy-6,13-dioxo-2-oxa-5,12-diazabicyclo[12.4.0]octadeca-1(14),15,17-trien-7-yl]-2-methylpropanamide
CID 165422178
N-[(7S)-17-methoxy-6,13-dioxo-2-oxa-5,12-diazabicyclo[12.4.0]octadeca-1(14),15,17-trien-7-yl]-1H-pyrrole-3-carboxamide
CID 165420051
5-(difluoromethyl)-N-[(7S)-17-methoxy-6,13-dioxo-2-oxa-5,12-diazabicyclo[12.4.0]octadeca-1(14),15,17-trien-7-yl]-1H-pyrazole-3-carboxamide
CID 165422034
7-methoxy-4H-1,4-benzoxazin-3-one;7-methoxy-3,4-dihydro-2H-1,4-benzoxazine
CID 167586416
(E)-N-[(7S)-17-methoxy-6,13-dioxo-2-oxa-5,12-diazabicyclo[12.4.0]octadeca-1(14),15,17-trien-7-yl]-3-phenylprop-2-enamide
CID 165420567

Frequently Asked Questions

What is the IUPAC name of 17-methoxy-N,N-dimethyl-6,13-dioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-8-sulfonamide?
The IUPAC name of 17-methoxy-N,N-dimethyl-6,13-dioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-8-sulfonamide (CID 154569098) is 17-methoxy-N,N-dimethyl-6,13-dioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-8-sulfonamide.
What is the SMILES notation for 17-methoxy-N,N-dimethyl-6,13-dioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-8-sulfonamide?
The canonical SMILES for 17-methoxy-N,N-dimethyl-6,13-dioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-8-sulfonamide is COc1ccc2c(c1)OCCNC(=O)CN(S(=O)(=O)N(C)C)CCCNC2=O.
What is the InChIKey of 17-methoxy-N,N-dimethyl-6,13-dioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-8-sulfonamide?
The InChIKey is DLIMDPOZWAVLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O6S/c1-20(2)28(24,25)21-9-4-7-19-17(23)14-6-5-13(26-3)11-15(14)27-10-8-18-16(22)12-21/h5-6,11H,4,7-10,12H2,1-3H3,(H,18,22)(H,19,23).
What are the key properties of 17-methoxy-N,N-dimethyl-6,13-dioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-8-sulfonamide?
17-methoxy-N,N-dimethyl-6,13-dioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-8-sulfonamide has a molecular weight of 414.48 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methoxy-N,N-dimethyl-6,13-dioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-8-sulfonamide is sourced from PubChem (CID 154569098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).