N-(5-chloro-2-pyridinyl)-2-[[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]thiophene-3-carboxamide

C21H18ClN5O2S — CID 67012140

IUPACN-(5-chloro-2-pyridinyl)-2-[[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]thiophene-3-carboxamide
SMILESCC1CN=C(c2ccc(C(=O)Nc3sccc3C(=O)Nc3ccc(Cl)cn3)cc2)N1
InChIInChI=1S/C21H18ClN5O2S/c1-12-10-24-18(25-12)13-2-4-14(5-3-13)19(28)27-21-16(8-9-30-21)20(29)26-17-7-6-15(22)11-23-17/h2-9,11-12H,10H2,1H3,(H,24,25)(H,27,28)(H,23,26,29)
InChIKeyVGJQJAUWOMKPPR-UHFFFAOYSA-N
MW439.93 g/mol
LogP4.04
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-2-[[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]thiophene-3-carboxamide

N-(5-chloro-2-pyridinyl)-2-[[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]thiophene-3-carboxamide (PubChem CID 67012140) has the molecular formula C21H18ClN5O2S and a molecular weight of 439.93 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]thiophene-3-carboxamide
PubChem CID67012140
Molecular FormulaC21H18ClN5O2S
Molecular Weight439.93 g/mol
Exact Mass439.09
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]thiophene-3-carboxamide
SMILESCC1CN=C(c2ccc(C(=O)Nc3sccc3C(=O)Nc3ccc(Cl)cn3)cc2)N1
InChIInChI=1S/C21H18ClN5O2S/c1-12-10-24-18(25-12)13-2-4-14(5-3-13)19(28)27-21-16(8-9-30-21)20(29)26-17-7-6-15(22)11-23-17/h2-9,11-12H,10H2,1H3,(H,24,25)(H,27,28)(H,23,26,29)
InChIKeyVGJQJAUWOMKPPR-UHFFFAOYSA-N
XLogP4.04
TPSA95.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.93
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]thiophene-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]thiophene-3-carboxamide (CID 67012140) is N-(5-chloro-2-pyridinyl)-2-[[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]thiophene-3-carboxamide is CC1CN=C(c2ccc(C(=O)Nc3sccc3C(=O)Nc3ccc(Cl)cn3)cc2)N1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]thiophene-3-carboxamide?
The InChIKey is VGJQJAUWOMKPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O2S/c1-12-10-24-18(25-12)13-2-4-14(5-3-13)19(28)27-21-16(8-9-30-21)20(29)26-17-7-6-15(22)11-23-17/h2-9,11-12H,10H2,1H3,(H,24,25)(H,27,28)(H,23,26,29).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]thiophene-3-carboxamide?
N-(5-chloro-2-pyridinyl)-2-[[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]thiophene-3-carboxamide has a molecular weight of 439.93 g/mol, XLogP of 4.04, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 67012140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).