1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea

C30H28N4O4S — CID 118950529

IUPAC1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
SMILESCc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc(-c2ccoc2C)cc1
InChIInChI=1S/C30H28N4O4S/c1-21-8-6-7-11-28(21)39(36,37)33-30(35)32-27(20-23-9-4-3-5-10-23)29-31-17-18-34(29)25-14-12-24(13-15-25)26-16-19-38-22(26)2/h3-19,27H,20H2,1-2H3,(H2,32,33,35)/t27-/m0/s1
InChIKeySJVBSLBYDKIYDS-MHZLTWQESA-N
MW540.65 g/mol
LogP5.72
Rot. Bonds8

About 1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea

1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea (PubChem CID 118950529) has the molecular formula C30H28N4O4S and a molecular weight of 540.65 g/mol. Its IUPAC name is 1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
PubChem CID118950529
Molecular FormulaC30H28N4O4S
Molecular Weight540.65 g/mol
Exact Mass540.18
IUPAC Name1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
SMILESCc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc(-c2ccoc2C)cc1
InChIInChI=1S/C30H28N4O4S/c1-21-8-6-7-11-28(21)39(36,37)33-30(35)32-27(20-23-9-4-3-5-10-23)29-31-17-18-34(29)25-14-12-24(13-15-25)26-16-19-38-22(26)2/h3-19,27H,20H2,1-2H3,(H2,32,33,35)/t27-/m0/s1
InChIKeySJVBSLBYDKIYDS-MHZLTWQESA-N
XLogP5.72
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.65
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea?
The IUPAC name of 1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea (CID 118950529) is 1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea?
The canonical SMILES for 1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea is Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc(-c2ccoc2C)cc1.
What is the InChIKey of 1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea?
The InChIKey is SJVBSLBYDKIYDS-MHZLTWQESA-N. The full InChI is InChI=1S/C30H28N4O4S/c1-21-8-6-7-11-28(21)39(36,37)33-30(35)32-27(20-23-9-4-3-5-10-23)29-31-17-18-34(29)25-14-12-24(13-15-25)26-16-19-38-22(26)2/h3-19,27H,20H2,1-2H3,(H2,32,33,35)/t27-/m0/s1.
What are the key properties of 1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea?
1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea has a molecular weight of 540.65 g/mol, XLogP of 5.72, 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-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea is sourced from PubChem (CID 118950529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).