N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide

C22H19ClN4O3S2 — CID 42923725

IUPACN-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCn1ccnc1C(NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H19ClN4O3S2/c1-27-13-12-24-21(27)20(15-4-8-17(23)9-5-15)25-22(28)16-6-10-18(11-7-16)26-32(29,30)19-3-2-14-31-19/h2-14,20,26H,1H3,(H,25,28)
InChIKeyQPAQKBAUZZJPFN-UHFFFAOYSA-N
MW487.01 g/mol
LogP4.46
Rot. Bonds7

About N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide

N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 42923725) has the molecular formula C22H19ClN4O3S2 and a molecular weight of 487.01 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID42923725
Molecular FormulaC22H19ClN4O3S2
Molecular Weight487.01 g/mol
Exact Mass486.06
IUPAC NameN-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCn1ccnc1C(NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H19ClN4O3S2/c1-27-13-12-24-21(27)20(15-4-8-17(23)9-5-15)25-22(28)16-6-10-18(11-7-16)26-32(29,30)19-3-2-14-31-19/h2-14,20,26H,1H3,(H,25,28)
InChIKeyQPAQKBAUZZJPFN-UHFFFAOYSA-N
XLogP4.46
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.01
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide
CID 17416898
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 27034422
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 25325592
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-methylpropoxy)benzamide
CID 25325512
N-[(1-methylimidazol-2-yl)-(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 110429323
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-diethoxybenzamide
CID 27034467
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-methylsulfonylbenzamide
CID 25339297
5-chloro-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 25344825
3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 40809427
4-benzamido-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46537794
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 27034480
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51559087

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide (CID 42923725) is N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide is Cn1ccnc1C(NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is QPAQKBAUZZJPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3S2/c1-27-13-12-24-21(27)20(15-4-8-17(23)9-5-15)25-22(28)16-6-10-18(11-7-16)26-32(29,30)19-3-2-14-31-19/h2-14,20,26H,1H3,(H,25,28).
What are the key properties of N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 487.01 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 42923725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).