N-[5-[(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)methyl]-2-methoxyphenyl]thiophene-2-carboxamide

C19H19N3O4S — CID 17052516

IUPACN-[5-[(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)methyl]-2-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1ccc(CN2C(=O)C3CCCN3C2=O)cc1NC(=O)c1cccs1
InChIInChI=1S/C19H19N3O4S/c1-26-15-7-6-12(10-13(15)20-17(23)16-5-3-9-27-16)11-22-18(24)14-4-2-8-21(14)19(22)25/h3,5-7,9-10,14H,2,4,8,11H2,1H3,(H,20,23)
InChIKeyURRUJJXUXMQXPO-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.94
Rot. Bonds5

About N-[5-[(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)methyl]-2-methoxyphenyl]thiophene-2-carboxamide

N-[5-[(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)methyl]-2-methoxyphenyl]thiophene-2-carboxamide (PubChem CID 17052516) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[5-[(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)methyl]-2-methoxyphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)methyl]-2-methoxyphenyl]thiophene-2-carboxamide
PubChem CID17052516
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-[5-[(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)methyl]-2-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1ccc(CN2C(=O)C3CCCN3C2=O)cc1NC(=O)c1cccs1
InChIInChI=1S/C19H19N3O4S/c1-26-15-7-6-12(10-13(15)20-17(23)16-5-3-9-27-16)11-22-18(24)14-4-2-8-21(14)19(22)25/h3,5-7,9-10,14H,2,4,8,11H2,1H3,(H,20,23)
InChIKeyURRUJJXUXMQXPO-UHFFFAOYSA-N
XLogP2.94
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-N-[5-[(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)methyl]-2-methoxyphenyl]-1-methylcyclopropane-1-carboxamide
CID 17052537
2-[(4-fluorophenyl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 42923851
N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 731690
N-[3-[2-methoxy-4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide
CID 26345069
N-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]thiophene-2-carboxamide
CID 3874381
N-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 17473150
N-(2-methoxy-5-methylphenyl)-2-[[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]amino]acetamide
CID 17455731
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
(2S)-N-(5-cyano-2-methoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 49182753
N-(2-methoxy-5-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558789
N-[2,5-dimethoxy-4-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]phenyl]benzamide
CID 41187714

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)methyl]-2-methoxyphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-[(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)methyl]-2-methoxyphenyl]thiophene-2-carboxamide (CID 17052516) is N-[5-[(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)methyl]-2-methoxyphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)methyl]-2-methoxyphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-[(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)methyl]-2-methoxyphenyl]thiophene-2-carboxamide is COc1ccc(CN2C(=O)C3CCCN3C2=O)cc1NC(=O)c1cccs1.
What is the InChIKey of N-[5-[(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)methyl]-2-methoxyphenyl]thiophene-2-carboxamide?
The InChIKey is URRUJJXUXMQXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-26-15-7-6-12(10-13(15)20-17(23)16-5-3-9-27-16)11-22-18(24)14-4-2-8-21(14)19(22)25/h3,5-7,9-10,14H,2,4,8,11H2,1H3,(H,20,23).
What are the key properties of N-[5-[(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)methyl]-2-methoxyphenyl]thiophene-2-carboxamide?
N-[5-[(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)methyl]-2-methoxyphenyl]thiophene-2-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)methyl]-2-methoxyphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 17052516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).