1-[(1S)-1-[1-(3-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea

C26H26N4O4S — CID 118950919

IUPAC1-[(1S)-1-[1-(3-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
SMILESCOc1cccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)c1
InChIInChI=1S/C26H26N4O4S/c1-19-9-6-7-14-24(19)35(32,33)29-26(31)28-23(17-20-10-4-3-5-11-20)25-27-15-16-30(25)21-12-8-13-22(18-21)34-2/h3-16,18,23H,17H2,1-2H3,(H2,28,29,31)/t23-/m0/s1
InChIKeyLAKOOIVYTAYWQX-QHCPKHFHSA-N
MW490.59 g/mol
LogP4.16
Rot. Bonds8

About 1-[(1S)-1-[1-(3-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea

1-[(1S)-1-[1-(3-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea (PubChem CID 118950919) has the molecular formula C26H26N4O4S and a molecular weight of 490.59 g/mol. Its IUPAC name is 1-[(1S)-1-[1-(3-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[(1S)-1-[1-(3-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
PubChem CID118950919
Molecular FormulaC26H26N4O4S
Molecular Weight490.59 g/mol
Exact Mass490.17
IUPAC Name1-[(1S)-1-[1-(3-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
SMILESCOc1cccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)c1
InChIInChI=1S/C26H26N4O4S/c1-19-9-6-7-14-24(19)35(32,33)29-26(31)28-23(17-20-10-4-3-5-11-20)25-27-15-16-30(25)21-12-8-13-22(18-21)34-2/h3-16,18,23H,17H2,1-2H3,(H2,28,29,31)/t23-/m0/s1
InChIKeyLAKOOIVYTAYWQX-QHCPKHFHSA-N
XLogP4.16
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
CID 118950753
1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea
CID 149053875
1-[(1S)-1-[1-(1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
CID 118950694
1-[1-[1-(1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
CID 118950695
1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
CID 118950529
1-[(1R)-1-[3-(4-ethoxyphenyl)-2-pyridinyl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
CID 118950814
(2S)-N-(4-methoxyphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 118037856
[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-3-phenylpropyl]urea
CID 145032499
1-methyl-3-[1-[1-(1-methylbenzimidazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea
CID 145032559
N-[3-[2-[1-[(2-methylphenyl)sulfinylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]butanamide
CID 145032550
N-[1-[1-(4-bromophenyl)imidazol-2-yl]-2-phenylethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 166790108
(2S)-N-(4-methoxy-3-methylphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide
CID 118038110

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[1-(3-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea?
The IUPAC name of 1-[(1S)-1-[1-(3-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea (CID 118950919) is 1-[(1S)-1-[1-(3-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-[(1S)-1-[1-(3-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea?
The canonical SMILES for 1-[(1S)-1-[1-(3-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea is COc1cccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)c1.
What is the InChIKey of 1-[(1S)-1-[1-(3-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea?
The InChIKey is LAKOOIVYTAYWQX-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H26N4O4S/c1-19-9-6-7-14-24(19)35(32,33)29-26(31)28-23(17-20-10-4-3-5-11-20)25-27-15-16-30(25)21-12-8-13-22(18-21)34-2/h3-16,18,23H,17H2,1-2H3,(H2,28,29,31)/t23-/m0/s1.
What are the key properties of 1-[(1S)-1-[1-(3-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea?
1-[(1S)-1-[1-(3-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea has a molecular weight of 490.59 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[1-(3-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea is sourced from PubChem (CID 118950919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).