N-[3-(methylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-5-nitrofuran-2-carboxamide

C14H13N3O5S — CID 7474996

IUPACN-[3-(methylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-5-nitrofuran-2-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])o2)sc2c1CCC2
InChIInChI=1S/C14H13N3O5S/c1-15-13(19)11-7-3-2-4-9(7)23-14(11)16-12(18)8-5-6-10(22-8)17(20)21/h5-6H,2-4H2,1H3,(H,15,19)(H,16,18)
InChIKeyWRIMFFWPZLHQDG-UHFFFAOYSA-N
MW335.34 g/mol
LogP2.35
Rot. Bonds4

About N-[3-(methylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-5-nitrofuran-2-carboxamide

N-[3-(methylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-5-nitrofuran-2-carboxamide (PubChem CID 7474996) has the molecular formula C14H13N3O5S and a molecular weight of 335.34 g/mol. Its IUPAC name is N-[3-(methylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(methylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-5-nitrofuran-2-carboxamide
PubChem CID7474996
Molecular FormulaC14H13N3O5S
Molecular Weight335.34 g/mol
Exact Mass335.06
IUPAC NameN-[3-(methylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-5-nitrofuran-2-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])o2)sc2c1CCC2
InChIInChI=1S/C14H13N3O5S/c1-15-13(19)11-7-3-2-4-9(7)23-14(11)16-12(18)8-5-6-10(22-8)17(20)21/h5-6H,2-4H2,1H3,(H,15,19)(H,16,18)
InChIKeyWRIMFFWPZLHQDG-UHFFFAOYSA-N
XLogP2.35
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(methylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]-5-nitrofuran-2-carboxamide
CID 7475072
methyl 6-methyl-2-[(5-nitrofuran-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 4994498
methyl 2-[(5-nitrofuran-2-carbonyl)amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate
CID 7136073
N-methyl-2-[(2-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 745132
2-[(3,5-dichlorobenzoyl)amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 7474983
2-[(5-bromothiophene-2-carbonyl)amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 7474997
methyl 2-[(5-chlorofuran-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 103601770
ethyl 2-[(5-nitrofuran-2-carbonyl)amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate
CID 7095654
2-[(2-iodobenzoyl)amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 18561003
N-methyl-2-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 7203077
N-methyl-2-[(2-phenoxyacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 7475042
ethyl 2-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 4579830

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[3-(methylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-5-nitrofuran-2-carboxamide (CID 7474996) is N-[3-(methylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[3-(methylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[3-(methylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-5-nitrofuran-2-carboxamide is CNC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])o2)sc2c1CCC2.
What is the InChIKey of N-[3-(methylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-5-nitrofuran-2-carboxamide?
The InChIKey is WRIMFFWPZLHQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5S/c1-15-13(19)11-7-3-2-4-9(7)23-14(11)16-12(18)8-5-6-10(22-8)17(20)21/h5-6H,2-4H2,1H3,(H,15,19)(H,16,18).
What are the key properties of N-[3-(methylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-5-nitrofuran-2-carboxamide?
N-[3-(methylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-5-nitrofuran-2-carboxamide has a molecular weight of 335.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 7474996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).