N-[(3S,4S,9S,11R)-11-methoxy-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]thiophene-2-carboxamide

C16H19N3O4S — CID 11866078

IUPACN-[(3S,4S,9S,11R)-11-methoxy-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]thiophene-2-carboxamide
SMILESCO[C@@H]1C[C@H]2C(=O)N3CC[C@H](NC(=O)c4cccs4)[C@H]3C(=O)N2C1
InChIInChI=1S/C16H19N3O4S/c1-23-9-7-11-15(21)18-5-4-10(13(18)16(22)19(11)8-9)17-14(20)12-3-2-6-24-12/h2-3,6,9-11,13H,4-5,7-8H2,1H3,(H,17,20)/t9-,10+,11+,13+/m1/s1
InChIKeyUTDCOMFLUOBEFQ-BLFANLJRSA-N
MW349.41 g/mol
LogP0.08
Rot. Bonds3

About N-[(3S,4S,9S,11R)-11-methoxy-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]thiophene-2-carboxamide

N-[(3S,4S,9S,11R)-11-methoxy-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]thiophene-2-carboxamide (PubChem CID 11866078) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[(3S,4S,9S,11R)-11-methoxy-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S,9S,11R)-11-methoxy-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]thiophene-2-carboxamide
PubChem CID11866078
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-[(3S,4S,9S,11R)-11-methoxy-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]thiophene-2-carboxamide
SMILESCO[C@@H]1C[C@H]2C(=O)N3CC[C@H](NC(=O)c4cccs4)[C@H]3C(=O)N2C1
InChIInChI=1S/C16H19N3O4S/c1-23-9-7-11-15(21)18-5-4-10(13(18)16(22)19(11)8-9)17-14(20)12-3-2-6-24-12/h2-3,6,9-11,13H,4-5,7-8H2,1H3,(H,17,20)/t9-,10+,11+,13+/m1/s1
InChIKeyUTDCOMFLUOBEFQ-BLFANLJRSA-N
XLogP0.08
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S,4S,9S,11R)-11-methoxy-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S,4S,9S,11R)-11-(cyclopropylmethoxy)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]thiophene-2-carboxamide
CID 138990868
N-(11-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)thiophene-2-carboxamide
CID 3747910
N-(2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)thiophene-2-carboxamide
CID 3745374
N-[(3S,4R,9R)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]thiophene-2-carboxamide
CID 162807351
[(3S,5S,9S,10S)-10-[(4-methoxybenzoyl)amino]-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl]azanium
CID 11866080
4-amino-11-methoxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
CID 3875204
N-(2-methoxycyclopentyl)thiophene-2-carboxamide
CID 64592899
N-[(3S,7S,10R,12S)-4-(cyclopentanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]thiophene-2-carboxamide
CID 11865922
N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]thiophene-2-carboxamide
CID 75394866
N-[(6aS,7S)-6,11-dioxo-2-thiophen-3-yl-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]thiophene-2-carboxamide
CID 11941497
N-[(6aS,7S)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]thiophene-2-carboxamide
CID 11941512
N-[(6aS,7S)-2-bromo-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]thiophene-2-carboxamide
CID 11941858

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S,9S,11R)-11-methoxy-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(3S,4S,9S,11R)-11-methoxy-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]thiophene-2-carboxamide (CID 11866078) is N-[(3S,4S,9S,11R)-11-methoxy-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(3S,4S,9S,11R)-11-methoxy-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(3S,4S,9S,11R)-11-methoxy-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]thiophene-2-carboxamide is CO[C@@H]1C[C@H]2C(=O)N3CC[C@H](NC(=O)c4cccs4)[C@H]3C(=O)N2C1.
What is the InChIKey of N-[(3S,4S,9S,11R)-11-methoxy-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]thiophene-2-carboxamide?
The InChIKey is UTDCOMFLUOBEFQ-BLFANLJRSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-23-9-7-11-15(21)18-5-4-10(13(18)16(22)19(11)8-9)17-14(20)12-3-2-6-24-12/h2-3,6,9-11,13H,4-5,7-8H2,1H3,(H,17,20)/t9-,10+,11+,13+/m1/s1.
What are the key properties of N-[(3S,4S,9S,11R)-11-methoxy-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]thiophene-2-carboxamide?
N-[(3S,4S,9S,11R)-11-methoxy-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]thiophene-2-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S,9S,11R)-11-methoxy-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 11866078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).