5-chloro-N-[(1R,2S)-2-[[4-[2-[(dimethylamino)methyl]imidazol-1-yl]benzoyl]amino]cyclohexyl]thiophene-2-carboxamide

C24H28ClN5O2S — CID 11397605

IUPAC5-chloro-N-[(1R,2S)-2-[[4-[2-[(dimethylamino)methyl]imidazol-1-yl]benzoyl]amino]cyclohexyl]thiophene-2-carboxamide
SMILESCN(C)Cc1nccn1-c1ccc(C(=O)N[C@H]2CCCC[C@H]2NC(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C24H28ClN5O2S/c1-29(2)15-22-26-13-14-30(22)17-9-7-16(8-10-17)23(31)27-18-5-3-4-6-19(18)28-24(32)20-11-12-21(25)33-20/h7-14,18-19H,3-6,15H2,1-2H3,(H,27,31)(H,28,32)/t18-,19+/m0/s1
InChIKeyRDFSICYDVOWVPI-RBUKOAKNSA-N
MW486.04 g/mol
LogP4.12
Rot. Bonds7

About 5-chloro-N-[(1R,2S)-2-[[4-[2-[(dimethylamino)methyl]imidazol-1-yl]benzoyl]amino]cyclohexyl]thiophene-2-carboxamide

5-chloro-N-[(1R,2S)-2-[[4-[2-[(dimethylamino)methyl]imidazol-1-yl]benzoyl]amino]cyclohexyl]thiophene-2-carboxamide (PubChem CID 11397605) has the molecular formula C24H28ClN5O2S and a molecular weight of 486.04 g/mol. Its IUPAC name is 5-chloro-N-[(1R,2S)-2-[[4-[2-[(dimethylamino)methyl]imidazol-1-yl]benzoyl]amino]cyclohexyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1R,2S)-2-[[4-[2-[(dimethylamino)methyl]imidazol-1-yl]benzoyl]amino]cyclohexyl]thiophene-2-carboxamide
PubChem CID11397605
Molecular FormulaC24H28ClN5O2S
Molecular Weight486.04 g/mol
Exact Mass485.17
IUPAC Name5-chloro-N-[(1R,2S)-2-[[4-[2-[(dimethylamino)methyl]imidazol-1-yl]benzoyl]amino]cyclohexyl]thiophene-2-carboxamide
SMILESCN(C)Cc1nccn1-c1ccc(C(=O)N[C@H]2CCCC[C@H]2NC(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C24H28ClN5O2S/c1-29(2)15-22-26-13-14-30(22)17-9-7-16(8-10-17)23(31)27-18-5-3-4-6-19(18)28-24(32)20-11-12-21(25)33-20/h7-14,18-19H,3-6,15H2,1-2H3,(H,27,31)(H,28,32)/t18-,19+/m0/s1
InChIKeyRDFSICYDVOWVPI-RBUKOAKNSA-N
XLogP4.12
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.04
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-(1H-imidazol-1-ylmethyl)thiophene-2-carboxamide
CID 18376618
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-5-(1H-imidazol-1-ylmethyl)thiophene-2-carboxamide
CID 18376827
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-({[3-(1H-imidazol-1-yl)propyl]amino}methyl)thiophene-2-carboxamide
CID 18376921
Azole, 8
CID 53348138
2-chloro-N-[3-[1-(4-imidazol-1-ylphenyl)ethylamino]-3-oxopropyl]benzamide
CID 18129604
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methylsulfanylbenzamide
CID 24685445
4-[5-({4-[4-(5-Chloro-thiophene-2-carbonyl)-piperazin-1-yl]-phenylamino}-methyl)-imidazol-1-ylmethyl]-benzonitrile
CID 10301474
5-chloro-N-((1R,2S)-2-(4-(2-((dimethylamino)methyl)-1H-imidazol-1-yl)benzamido)cyclopentyl)thiophene-2-carboxamide
CID 11248439
[2-Chloro-4-[(6-methyl-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone
CID 56658690
[2-Chloro-4-[(6-methyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone
CID 56665628
1-[(1R,3S)-3-[(5-chlorothiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide
CID 127044546
[4-[[4-(5-Chlorothiophen-2-yl)pyrimidin-2-yl]amino]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R,2S)-2-[[4-[2-[(dimethylamino)methyl]imidazol-1-yl]benzoyl]amino]cyclohexyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1R,2S)-2-[[4-[2-[(dimethylamino)methyl]imidazol-1-yl]benzoyl]amino]cyclohexyl]thiophene-2-carboxamide (CID 11397605) is 5-chloro-N-[(1R,2S)-2-[[4-[2-[(dimethylamino)methyl]imidazol-1-yl]benzoyl]amino]cyclohexyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1R,2S)-2-[[4-[2-[(dimethylamino)methyl]imidazol-1-yl]benzoyl]amino]cyclohexyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1R,2S)-2-[[4-[2-[(dimethylamino)methyl]imidazol-1-yl]benzoyl]amino]cyclohexyl]thiophene-2-carboxamide is CN(C)Cc1nccn1-c1ccc(C(=O)N[C@H]2CCCC[C@H]2NC(=O)c2ccc(Cl)s2)cc1.
What is the InChIKey of 5-chloro-N-[(1R,2S)-2-[[4-[2-[(dimethylamino)methyl]imidazol-1-yl]benzoyl]amino]cyclohexyl]thiophene-2-carboxamide?
The InChIKey is RDFSICYDVOWVPI-RBUKOAKNSA-N. The full InChI is InChI=1S/C24H28ClN5O2S/c1-29(2)15-22-26-13-14-30(22)17-9-7-16(8-10-17)23(31)27-18-5-3-4-6-19(18)28-24(32)20-11-12-21(25)33-20/h7-14,18-19H,3-6,15H2,1-2H3,(H,27,31)(H,28,32)/t18-,19+/m0/s1.
What are the key properties of 5-chloro-N-[(1R,2S)-2-[[4-[2-[(dimethylamino)methyl]imidazol-1-yl]benzoyl]amino]cyclohexyl]thiophene-2-carboxamide?
5-chloro-N-[(1R,2S)-2-[[4-[2-[(dimethylamino)methyl]imidazol-1-yl]benzoyl]amino]cyclohexyl]thiophene-2-carboxamide has a molecular weight of 486.04 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R,2S)-2-[[4-[2-[(dimethylamino)methyl]imidazol-1-yl]benzoyl]amino]cyclohexyl]thiophene-2-carboxamide is sourced from PubChem (CID 11397605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).