1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[3-(tert-butylsulfamoyl)phenyl]urea

C21H25N3O4S — CID 52539457

IUPAC1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[3-(tert-butylsulfamoyl)phenyl]urea
SMILESC[C@@H](NC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)c1cc2ccccc2o1
InChIInChI=1S/C21H25N3O4S/c1-14(19-12-15-8-5-6-11-18(15)28-19)22-20(25)23-16-9-7-10-17(13-16)29(26,27)24-21(2,3)4/h5-14,24H,1-4H3,(H2,22,23,25)/t14-/m1/s1
InChIKeyISWDTJZZIQTZBZ-CQSZACIVSA-N
MW415.52 g/mol
LogP4.39
Rot. Bonds5

About 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[3-(tert-butylsulfamoyl)phenyl]urea

1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[3-(tert-butylsulfamoyl)phenyl]urea (PubChem CID 52539457) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[3-(tert-butylsulfamoyl)phenyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[3-(tert-butylsulfamoyl)phenyl]urea
PubChem CID52539457
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[3-(tert-butylsulfamoyl)phenyl]urea
SMILESC[C@@H](NC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)c1cc2ccccc2o1
InChIInChI=1S/C21H25N3O4S/c1-14(19-12-15-8-5-6-11-18(15)28-19)22-20(25)23-16-9-7-10-17(13-16)29(26,27)24-21(2,3)4/h5-14,24H,1-4H3,(H2,22,23,25)/t14-/m1/s1
InChIKeyISWDTJZZIQTZBZ-CQSZACIVSA-N
XLogP4.39
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[3-(tert-butylsulfamoyl)phenyl]urea with MolForge

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

Launch Full Analysis

Related Compounds

1-[1-(1-benzofuran-2-yl)ethyl]-3-pyridin-3-ylurea
CID 134056773
N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]phenyl]-3-methylbutanamide
CID 47033511
3-(benzenesulfonamido)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]propanamide
CID 9367334
3-(benzenesulfonyl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]propanamide
CID 9366803
3-(1,3-benzoxazol-2-yl)-N-[3-(tert-butylsulfamoyl)phenyl]propanamide
CID 9020862
4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-butan-2-ylbenzamide
CID 60569859
1-[1-(1-benzofuran-2-yl)ethyl]-3-isoquinolin-5-ylurea
CID 71900533
N-[1-(1-benzofuran-2-yl)ethyl]-3-(cyclopropylsulfamoyl)benzamide
CID 51206832
(2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide
CID 119688794
2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]propanediamide
CID 94056544
tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamate
CID 16663836
3-N-[1-(1-benzofuran-2-yl)ethyl]benzene-1,3-disulfonamide
CID 86916872

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[3-(tert-butylsulfamoyl)phenyl]urea?
The IUPAC name of 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[3-(tert-butylsulfamoyl)phenyl]urea (CID 52539457) is 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[3-(tert-butylsulfamoyl)phenyl]urea.
What is the SMILES notation for 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[3-(tert-butylsulfamoyl)phenyl]urea?
The canonical SMILES for 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[3-(tert-butylsulfamoyl)phenyl]urea is C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)c1cc2ccccc2o1.
What is the InChIKey of 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[3-(tert-butylsulfamoyl)phenyl]urea?
The InChIKey is ISWDTJZZIQTZBZ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-14(19-12-15-8-5-6-11-18(15)28-19)22-20(25)23-16-9-7-10-17(13-16)29(26,27)24-21(2,3)4/h5-14,24H,1-4H3,(H2,22,23,25)/t14-/m1/s1.
What are the key properties of 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[3-(tert-butylsulfamoyl)phenyl]urea?
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[3-(tert-butylsulfamoyl)phenyl]urea has a molecular weight of 415.52 g/mol, XLogP of 4.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[3-(tert-butylsulfamoyl)phenyl]urea is sourced from PubChem (CID 52539457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).