N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide

C22H23ClN4O4S — CID 25334099

IUPACN-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCn1ccnc1[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN4O4S/c1-26-10-9-24-21(26)20(16-5-7-18(23)8-6-16)25-22(28)17-3-2-4-19(15-17)32(29,30)27-11-13-31-14-12-27/h2-10,15,20H,11-14H2,1H3,(H,25,28)/t20-/m0/s1
InChIKeyAYRLNSQRAPHXPM-FQEVSTJZSA-N
MW474.97 g/mol
LogP2.61
Rot. Bonds6

About N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide

N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 25334099) has the molecular formula C22H23ClN4O4S and a molecular weight of 474.97 g/mol. Its IUPAC name is N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID25334099
Molecular FormulaC22H23ClN4O4S
Molecular Weight474.97 g/mol
Exact Mass474.11
IUPAC NameN-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCn1ccnc1[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN4O4S/c1-26-10-9-24-21(26)20(16-5-7-18(23)8-6-16)25-22(28)17-3-2-4-19(15-17)32(29,30)27-11-13-31-14-12-27/h2-10,15,20H,11-14H2,1H3,(H,25,28)/t20-/m0/s1
InChIKeyAYRLNSQRAPHXPM-FQEVSTJZSA-N
XLogP2.61
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.97
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 7733419
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 41041499
N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 25406465
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 27034480
N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-3-methylsulfonylbenzamide
CID 40821023
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 7944643
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 7944640
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 98487422
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 46566179
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 27034422
3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 4541490
3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 27900389

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide (CID 25334099) is N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide is Cn1ccnc1[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is AYRLNSQRAPHXPM-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H23ClN4O4S/c1-26-10-9-24-21(26)20(16-5-7-18(23)8-6-16)25-22(28)17-3-2-4-19(15-17)32(29,30)27-11-13-31-14-12-27/h2-10,15,20H,11-14H2,1H3,(H,25,28)/t20-/m0/s1.
What are the key properties of N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide?
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 474.97 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 25334099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).