5-(cyclohexylamino)-4-ethanimidoyl-N-[4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]thiophene-2-carboxamide

C24H29N5O3S — CID 143163406

IUPAC5-(cyclohexylamino)-4-ethanimidoyl-N-[4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]thiophene-2-carboxamide
SMILES[H]/N=C(\C)c1cc(C(=O)Nc2ccc(CN3C(=O)CN(C)C3=O)cc2)sc1NC1CCCCC1
InChIInChI=1S/C24H29N5O3S/c1-15(25)19-12-20(33-23(19)27-17-6-4-3-5-7-17)22(31)26-18-10-8-16(9-11-18)13-29-21(30)14-28(2)24(29)32/h8-12,17,25,27H,3-7,13-14H2,1-2H3,(H,26,31)/b25-15+
InChIKeyZIDGSVRMBRGZJV-MFKUBSTISA-N
MW467.60 g/mol
LogP4.53
Rot. Bonds7

About 5-(cyclohexylamino)-4-ethanimidoyl-N-[4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]thiophene-2-carboxamide

5-(cyclohexylamino)-4-ethanimidoyl-N-[4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]thiophene-2-carboxamide (PubChem CID 143163406) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is 5-(cyclohexylamino)-4-ethanimidoyl-N-[4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclohexylamino)-4-ethanimidoyl-N-[4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]thiophene-2-carboxamide
PubChem CID143163406
Molecular FormulaC24H29N5O3S
Molecular Weight467.60 g/mol
Exact Mass467.20
IUPAC Name5-(cyclohexylamino)-4-ethanimidoyl-N-[4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]thiophene-2-carboxamide
SMILES[H]/N=C(\C)c1cc(C(=O)Nc2ccc(CN3C(=O)CN(C)C3=O)cc2)sc1NC1CCCCC1
InChIInChI=1S/C24H29N5O3S/c1-15(25)19-12-20(33-23(19)27-17-6-4-3-5-7-17)22(31)26-18-10-8-16(9-11-18)13-29-21(30)14-28(2)24(29)32/h8-12,17,25,27H,3-7,13-14H2,1-2H3,(H,26,31)/b25-15+
InChIKeyZIDGSVRMBRGZJV-MFKUBSTISA-N
XLogP4.53
TPSA105.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-thiophene-2-carboxylic acid cyclohexylcarbamoylmethyl-p-tolyl-amide
CID 1442193
N-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7326464
N-Cyclopentyl-2-[N-(4-methylphenyl)-1-(5-methylthiophen-2-YL)formamido]acetamide
CID 1442234
Thiophene-2-carboxylic acid [(cyclohexylcarbamoylmethyl-p-tolyl-carbamoyl)-methyl]-amide
CID 3211306
N-[(3-methylthiophen-2-yl)methyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 45810493
4-acetamido-N-(2-(3-(thiophen-2-yl)ureido)ethyl)benzamide
CID 44054567
5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 71839161
3-fluoro-N-[(3E)-2-imino-5-thiophen-2-ylhepta-3,6-dien-3-yl]-4-(2-pyrrolidin-1-ylpropanoylamino)benzamide
CID 90847669
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 55617111
N-[(2-fluorophenyl)methyl]-4-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)carbamoylamino]benzamide
CID 55770242
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 55853337
N-[2-[[5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carbonyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 55971946

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-4-ethanimidoyl-N-[4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-(cyclohexylamino)-4-ethanimidoyl-N-[4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]thiophene-2-carboxamide (CID 143163406) is 5-(cyclohexylamino)-4-ethanimidoyl-N-[4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclohexylamino)-4-ethanimidoyl-N-[4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclohexylamino)-4-ethanimidoyl-N-[4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]thiophene-2-carboxamide is [H]/N=C(\C)c1cc(C(=O)Nc2ccc(CN3C(=O)CN(C)C3=O)cc2)sc1NC1CCCCC1.
What is the InChIKey of 5-(cyclohexylamino)-4-ethanimidoyl-N-[4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]thiophene-2-carboxamide?
The InChIKey is ZIDGSVRMBRGZJV-MFKUBSTISA-N. The full InChI is InChI=1S/C24H29N5O3S/c1-15(25)19-12-20(33-23(19)27-17-6-4-3-5-7-17)22(31)26-18-10-8-16(9-11-18)13-29-21(30)14-28(2)24(29)32/h8-12,17,25,27H,3-7,13-14H2,1-2H3,(H,26,31)/b25-15+.
What are the key properties of 5-(cyclohexylamino)-4-ethanimidoyl-N-[4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]thiophene-2-carboxamide?
5-(cyclohexylamino)-4-ethanimidoyl-N-[4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]thiophene-2-carboxamide has a molecular weight of 467.60 g/mol, XLogP of 4.53, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-4-ethanimidoyl-N-[4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 143163406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).