1-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3-propylurea

C19H26N2O4S — CID 9161691

IUPAC1-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3-propylurea
SMILESCCCNC(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H26N2O4S/c1-4-11-20-19(22)21-13-18(17-6-5-12-25-17)26(23,24)16-9-7-15(8-10-16)14(2)3/h5-10,12,14,18H,4,11,13H2,1-3H3,(H2,20,21,22)/t18-/m1/s1
InChIKeyBGDPMHGVXRUNKX-GOSISDBHSA-N
MW378.49 g/mol
LogP3.63
Rot. Bonds8

About 1-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3-propylurea

1-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3-propylurea (PubChem CID 9161691) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is 1-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3-propylurea.

Molecular Properties

Compound Name1-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3-propylurea
PubChem CID9161691
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Name1-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3-propylurea
SMILESCCCNC(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H26N2O4S/c1-4-11-20-19(22)21-13-18(17-6-5-12-25-17)26(23,24)16-9-7-15(8-10-16)14(2)3/h5-10,12,14,18H,4,11,13H2,1-3H3,(H2,20,21,22)/t18-/m1/s1
InChIKeyBGDPMHGVXRUNKX-GOSISDBHSA-N
XLogP3.63
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3-propylurea 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

2-chloro-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]acetamide
CID 9161526
N-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]pentanamide
CID 9161490
1-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-propylurea
CID 9167607
N-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]propane-1-sulfonamide
CID 9161431
N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3,4-dimethylbenzamide
CID 9161587
N'-cyclopropyl-N-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]oxamide
CID 9161759
N'-cyclopropyl-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]oxamide
CID 9161752
N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-2-methylpropanamide
CID 7268134
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide
CID 7268165
4-chloro-N-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 22584561
N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide
CID 22584425
N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide
CID 7268216

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3-propylurea?
The IUPAC name of 1-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3-propylurea (CID 9161691) is 1-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3-propylurea.
What is the SMILES notation for 1-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3-propylurea?
The canonical SMILES for 1-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3-propylurea is CCCNC(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of 1-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3-propylurea?
The InChIKey is BGDPMHGVXRUNKX-GOSISDBHSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-4-11-20-19(22)21-13-18(17-6-5-12-25-17)26(23,24)16-9-7-15(8-10-16)14(2)3/h5-10,12,14,18H,4,11,13H2,1-3H3,(H2,20,21,22)/t18-/m1/s1.
What are the key properties of 1-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3-propylurea?
1-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3-propylurea has a molecular weight of 378.49 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3-propylurea is sourced from PubChem (CID 9161691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).