N-(3-methyl-2,4-dioxoimidazolidin-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide

C14H17N3O3S — CID 75398305

IUPACN-(3-methyl-2,4-dioxoimidazolidin-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
SMILESCN1C(=O)CN(NC(=O)c2cc3c(s2)CCCCC3)C1=O
InChIInChI=1S/C14H17N3O3S/c1-16-12(18)8-17(14(16)20)15-13(19)11-7-9-5-3-2-4-6-10(9)21-11/h7H,2-6,8H2,1H3,(H,15,19)
InChIKeyRAQHHSZJTINKHD-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.56
Rot. Bonds2

About N-(3-methyl-2,4-dioxoimidazolidin-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide

N-(3-methyl-2,4-dioxoimidazolidin-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide (PubChem CID 75398305) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(3-methyl-2,4-dioxoimidazolidin-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2,4-dioxoimidazolidin-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
PubChem CID75398305
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-(3-methyl-2,4-dioxoimidazolidin-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
SMILESCN1C(=O)CN(NC(=O)c2cc3c(s2)CCCCC3)C1=O
InChIInChI=1S/C14H17N3O3S/c1-16-12(18)8-17(14(16)20)15-13(19)11-7-9-5-3-2-4-6-10(9)21-11/h7H,2-6,8H2,1H3,(H,15,19)
InChIKeyRAQHHSZJTINKHD-UHFFFAOYSA-N
XLogP1.56
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-acetyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 43004091
N-methylsulfanyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 134490422
methyl 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 3506281
[(2R)-1-[2-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]urea
CID 35431124
N'-(5-methylthiophene-2-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 31845773
N'-(5-acetylthiophene-2-carbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 9089399
N-(3-oxobutan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 64996741
N-[3-(methylamino)-3-oxopropyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 47356144
N'-benzoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 26422783
N-(2-hydroxyethyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 43389911
N-cycloheptyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7996122
bis(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 140811828

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2,4-dioxoimidazolidin-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide?
The IUPAC name of N-(3-methyl-2,4-dioxoimidazolidin-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide (CID 75398305) is N-(3-methyl-2,4-dioxoimidazolidin-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-(3-methyl-2,4-dioxoimidazolidin-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide?
The canonical SMILES for N-(3-methyl-2,4-dioxoimidazolidin-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide is CN1C(=O)CN(NC(=O)c2cc3c(s2)CCCCC3)C1=O.
What is the InChIKey of N-(3-methyl-2,4-dioxoimidazolidin-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide?
The InChIKey is RAQHHSZJTINKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-16-12(18)8-17(14(16)20)15-13(19)11-7-9-5-3-2-4-6-10(9)21-11/h7H,2-6,8H2,1H3,(H,15,19).
What are the key properties of N-(3-methyl-2,4-dioxoimidazolidin-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide?
N-(3-methyl-2,4-dioxoimidazolidin-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2,4-dioxoimidazolidin-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide is sourced from PubChem (CID 75398305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).