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

C19H23N3O4S — CID 138990868

IUPACN-[(3S,4S,9S,11R)-11-(cyclopropylmethoxy)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]thiophene-2-carboxamide
SMILESO=C(N[C@H]1CCN2C(=O)[C@@H]3C[C@@H](OCC4CC4)CN3C(=O)[C@H]12)c1cccs1
InChIInChI=1S/C19H23N3O4S/c23-17(15-2-1-7-27-15)20-13-5-6-21-16(13)19(25)22-9-12(8-14(22)18(21)24)26-10-11-3-4-11/h1-2,7,11-14,16H,3-6,8-10H2,(H,20,23)/t12-,13+,14+,16+/m1/s1
InChIKeyUWHIWVHXIXSALC-HOSILWTGSA-N
MW389.48 g/mol
LogP0.86
Rot. Bonds5

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

N-[(3S,4S,9S,11R)-11-(cyclopropylmethoxy)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]thiophene-2-carboxamide (PubChem CID 138990868) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[(3S,4S,9S,11R)-11-(cyclopropylmethoxy)-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-(cyclopropylmethoxy)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]thiophene-2-carboxamide
PubChem CID138990868
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[(3S,4S,9S,11R)-11-(cyclopropylmethoxy)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]thiophene-2-carboxamide
SMILESO=C(N[C@H]1CCN2C(=O)[C@@H]3C[C@@H](OCC4CC4)CN3C(=O)[C@H]12)c1cccs1
InChIInChI=1S/C19H23N3O4S/c23-17(15-2-1-7-27-15)20-13-5-6-21-16(13)19(25)22-9-12(8-14(22)18(21)24)26-10-11-3-4-11/h1-2,7,11-14,16H,3-6,8-10H2,(H,20,23)/t12-,13+,14+,16+/m1/s1
InChIKeyUWHIWVHXIXSALC-HOSILWTGSA-N
XLogP0.86
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

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
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
3-chloro-N-[11-(cyclopropylmethoxy)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]-4-fluorobenzamide
CID 3791773
3-chloro-N-[(3S,4R,9S,11R)-11-(cyclopropylmethoxy)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]-4-fluorobenzamide
CID 162849927
5-prop-2-ynoxy-11-(thiophene-2-carbonyl)-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-2,8-dione
CID 73135217
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-[(3S,7S,8aS)-3-(2-methylpropyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]thiophene-2-carboxamide
CID 126460947
N-[10-(cyclopropylmethoxy)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]cyclobutanecarboxamide
CID 75130942
N-[(3S,7S,8aS)-1,4-dioxo-3-(phenylmethoxymethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]thiophene-2-carboxamide
CID 56857465
N-[(3S,4S,9S,11S)-11-amino-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]-2-methylsulfanylacetamide
CID 11866092

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S,9S,11R)-11-(cyclopropylmethoxy)-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-(cyclopropylmethoxy)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]thiophene-2-carboxamide (CID 138990868) is N-[(3S,4S,9S,11R)-11-(cyclopropylmethoxy)-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-(cyclopropylmethoxy)-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-(cyclopropylmethoxy)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]thiophene-2-carboxamide is O=C(N[C@H]1CCN2C(=O)[C@@H]3C[C@@H](OCC4CC4)CN3C(=O)[C@H]12)c1cccs1.
What is the InChIKey of N-[(3S,4S,9S,11R)-11-(cyclopropylmethoxy)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]thiophene-2-carboxamide?
The InChIKey is UWHIWVHXIXSALC-HOSILWTGSA-N. The full InChI is InChI=1S/C19H23N3O4S/c23-17(15-2-1-7-27-15)20-13-5-6-21-16(13)19(25)22-9-12(8-14(22)18(21)24)26-10-11-3-4-11/h1-2,7,11-14,16H,3-6,8-10H2,(H,20,23)/t12-,13+,14+,16+/m1/s1.
What are the key properties of N-[(3S,4S,9S,11R)-11-(cyclopropylmethoxy)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]thiophene-2-carboxamide?
N-[(3S,4S,9S,11R)-11-(cyclopropylmethoxy)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]thiophene-2-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 0.86, 5 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-(cyclopropylmethoxy)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 138990868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).