N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

C24H27FN4O4S — CID 42923197

IUPACN-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCn1ccnc1C(NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1F
InChIInChI=1S/C24H27FN4O4S/c1-28-13-12-26-24(28)23(20-4-2-3-5-21(20)25)27-22(30)11-8-18-6-9-19(10-7-18)34(31,32)29-14-16-33-17-15-29/h2-7,9-10,12-13,23H,8,11,14-17H2,1H3,(H,27,30)
InChIKeyILLDVVPCOAWUCZ-UHFFFAOYSA-N
MW486.57 g/mol
LogP2.42
Rot. Bonds8

About N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 42923197) has the molecular formula C24H27FN4O4S and a molecular weight of 486.57 g/mol. Its IUPAC name is N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID42923197
Molecular FormulaC24H27FN4O4S
Molecular Weight486.57 g/mol
Exact Mass486.17
IUPAC NameN-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCn1ccnc1C(NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1F
InChIInChI=1S/C24H27FN4O4S/c1-28-13-12-26-24(28)23(20-4-2-3-5-21(20)25)27-22(30)11-8-18-6-9-19(10-7-18)34(31,32)29-14-16-33-17-15-29/h2-7,9-10,12-13,23H,8,11,14-17H2,1H3,(H,27,30)
InChIKeyILLDVVPCOAWUCZ-UHFFFAOYSA-N
XLogP2.42
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-fluorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 37295393
2-(3,4-dichlorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25346268
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 46528242
N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 25406465
2-(2-chlorophenyl)-N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40953992
2-(2,6-dichlorophenyl)-N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25325328
1-[2-(4-chlorophenyl)ethyl]-3-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 36505789
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 27898430
3-amino-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide;dihydrochloride
CID 119837361
2-(2-fluorophenoxy)-N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25352041
N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(methoxymethyl)benzamide
CID 18102497
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30402422

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 42923197) is N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is Cn1ccnc1C(NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is ILLDVVPCOAWUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O4S/c1-28-13-12-26-24(28)23(20-4-2-3-5-21(20)25)27-22(30)11-8-18-6-9-19(10-7-18)34(31,32)29-14-16-33-17-15-29/h2-7,9-10,12-13,23H,8,11,14-17H2,1H3,(H,27,30).
What are the key properties of N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 486.57 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 42923197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).