5-(cyclohexylamino)-N-[(2R)-2-(2,5-dioxoimidazolidin-1-yl)propyl]-4-ethanimidoylthiophene-2-carboxamide

C19H27N5O3S — CID 163841171

IUPAC5-(cyclohexylamino)-N-[(2R)-2-(2,5-dioxoimidazolidin-1-yl)propyl]-4-ethanimidoylthiophene-2-carboxamide
SMILES[H]/N=C(\C)c1cc(C(=O)NC[C@@H](C)N2C(=O)CNC2=O)sc1NC1CCCCC1
InChIInChI=1S/C19H27N5O3S/c1-11(24-16(25)10-22-19(24)27)9-21-17(26)15-8-14(12(2)20)18(28-15)23-13-6-4-3-5-7-13/h8,11,13,20,23H,3-7,9-10H2,1-2H3,(H,21,26)(H,22,27)/b20-12+/t11-/m1/s1
InChIKeyOMDFEICHBZPEGT-DIQJZJFNSA-N
MW405.52 g/mol
LogP2.55
Rot. Bonds7

About 5-(cyclohexylamino)-N-[(2R)-2-(2,5-dioxoimidazolidin-1-yl)propyl]-4-ethanimidoylthiophene-2-carboxamide

5-(cyclohexylamino)-N-[(2R)-2-(2,5-dioxoimidazolidin-1-yl)propyl]-4-ethanimidoylthiophene-2-carboxamide (PubChem CID 163841171) has the molecular formula C19H27N5O3S and a molecular weight of 405.52 g/mol. Its IUPAC name is 5-(cyclohexylamino)-N-[(2R)-2-(2,5-dioxoimidazolidin-1-yl)propyl]-4-ethanimidoylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclohexylamino)-N-[(2R)-2-(2,5-dioxoimidazolidin-1-yl)propyl]-4-ethanimidoylthiophene-2-carboxamide
PubChem CID163841171
Molecular FormulaC19H27N5O3S
Molecular Weight405.52 g/mol
Exact Mass405.18
IUPAC Name5-(cyclohexylamino)-N-[(2R)-2-(2,5-dioxoimidazolidin-1-yl)propyl]-4-ethanimidoylthiophene-2-carboxamide
SMILES[H]/N=C(\C)c1cc(C(=O)NC[C@@H](C)N2C(=O)CNC2=O)sc1NC1CCCCC1
InChIInChI=1S/C19H27N5O3S/c1-11(24-16(25)10-22-19(24)27)9-21-17(26)15-8-14(12(2)20)18(28-15)23-13-6-4-3-5-7-13/h8,11,13,20,23H,3-7,9-10H2,1-2H3,(H,21,26)(H,22,27)/b20-12+/t11-/m1/s1
InChIKeyOMDFEICHBZPEGT-DIQJZJFNSA-N
XLogP2.55
TPSA114.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.55
H-Bond Donors ≤ 54
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-[(4,4-difluorocyclohexyl)amino]-N-[3-(3,3-difluoropyrrolidin-1-yl)cyclobutyl]-4-ethanimidoylthiophene-2-carboxamide;molecular hydrogen
CID 176716487
6-[2-[6-(3-aminoazetidine-1-carbonyl)-1-methyl-2H-thieno[2,3-d]pyrimidin-4-yl]ethyl]-4',4'-difluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 162570394
5-[(3-fluorobenzoyl)amino]-3-methyl-N-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 167879394
5-[(4,4-difluorocyclohexyl)amino]-N-[3-(3,3-difluoropyrrolidin-1-yl)cyclobutyl]-4-ethanimidoylthiophene-2-carboxamide
CID 176716488
N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-2-oxoimidazolidine-4-carboxamide
CID 18474103
4-ethanimidoyl-N-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]-5-(oxan-4-ylamino)thiophene-2-carboxamide
CID 136483381
1-(3-Carbamoyl-5-propan-2-ylthiophen-2-yl)-2-oxoimidazolidine-4-carboxamide
CID 140435453
5-(cyclohexylamino)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-ethanimidoylthiophene-2-carboxamide
CID 143163385
5-(cyclohexylamino)-4-ethanimidoylthiophene-2-carbaldehyde;(3S)-N,N-dimethyl-3-(methylamino)pyrrolidine-1-carboxamide
CID 143163397
5-(cyclohexylamino)-4-ethanimidoyl-N-[4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]thiophene-2-carboxamide
CID 143163406
5-(cyclohexylamino)-4-ethanimidoyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]thiophene-2-carboxamide
CID 143163412
5-(cyclohexylamino)-4-ethanimidoyl-N-(3-hydroxypropyl)thiophene-2-carboxamide
CID 143163423

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-N-[(2R)-2-(2,5-dioxoimidazolidin-1-yl)propyl]-4-ethanimidoylthiophene-2-carboxamide?
The IUPAC name of 5-(cyclohexylamino)-N-[(2R)-2-(2,5-dioxoimidazolidin-1-yl)propyl]-4-ethanimidoylthiophene-2-carboxamide (CID 163841171) is 5-(cyclohexylamino)-N-[(2R)-2-(2,5-dioxoimidazolidin-1-yl)propyl]-4-ethanimidoylthiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclohexylamino)-N-[(2R)-2-(2,5-dioxoimidazolidin-1-yl)propyl]-4-ethanimidoylthiophene-2-carboxamide?
The canonical SMILES for 5-(cyclohexylamino)-N-[(2R)-2-(2,5-dioxoimidazolidin-1-yl)propyl]-4-ethanimidoylthiophene-2-carboxamide is [H]/N=C(\C)c1cc(C(=O)NC[C@@H](C)N2C(=O)CNC2=O)sc1NC1CCCCC1.
What is the InChIKey of 5-(cyclohexylamino)-N-[(2R)-2-(2,5-dioxoimidazolidin-1-yl)propyl]-4-ethanimidoylthiophene-2-carboxamide?
The InChIKey is OMDFEICHBZPEGT-DIQJZJFNSA-N. The full InChI is InChI=1S/C19H27N5O3S/c1-11(24-16(25)10-22-19(24)27)9-21-17(26)15-8-14(12(2)20)18(28-15)23-13-6-4-3-5-7-13/h8,11,13,20,23H,3-7,9-10H2,1-2H3,(H,21,26)(H,22,27)/b20-12+/t11-/m1/s1.
What are the key properties of 5-(cyclohexylamino)-N-[(2R)-2-(2,5-dioxoimidazolidin-1-yl)propyl]-4-ethanimidoylthiophene-2-carboxamide?
5-(cyclohexylamino)-N-[(2R)-2-(2,5-dioxoimidazolidin-1-yl)propyl]-4-ethanimidoylthiophene-2-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 2.55, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-N-[(2R)-2-(2,5-dioxoimidazolidin-1-yl)propyl]-4-ethanimidoylthiophene-2-carboxamide is sourced from PubChem (CID 163841171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).