1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea

C14H24N2O4S — CID 97067878

IUPAC1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea
SMILESCc1cc([C@H](C)NC(=O)N[C@@H](C)CCS(C)(=O)=O)c(C)o1
InChIInChI=1S/C14H24N2O4S/c1-9(6-7-21(5,18)19)15-14(17)16-11(3)13-8-10(2)20-12(13)4/h8-9,11H,6-7H2,1-5H3,(H2,15,16,17)/t9-,11-/m0/s1
InChIKeyQPLRWSUBGDXCSX-ONGXEEELSA-N
MW316.42 g/mol
LogP2.08
Rot. Bonds6

About 1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea

1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea (PubChem CID 97067878) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea.

Molecular Properties

Compound Name1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea
PubChem CID97067878
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea
SMILESCc1cc([C@H](C)NC(=O)N[C@@H](C)CCS(C)(=O)=O)c(C)o1
InChIInChI=1S/C14H24N2O4S/c1-9(6-7-21(5,18)19)15-14(17)16-11(3)13-8-10(2)20-12(13)4/h8-9,11H,6-7H2,1-5H3,(H2,15,16,17)/t9-,11-/m0/s1
InChIKeyQPLRWSUBGDXCSX-ONGXEEELSA-N
XLogP2.08
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea with MolForge

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Related Compounds

(2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]pentanoic acid
CID 107566688
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylsulfonylpropan-2-amine
CID 64628955
2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide
CID 63680874
(2S)-3-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]-2-hydroxypropanoic acid
CID 107839410
1-[(2S)-4-methylsulfonylbutan-2-yl]-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 97227304
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111121109
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide
CID 107027131
3-[[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]methyl]pentanoic acid
CID 81066841
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111505375
tert-butyl N-[1-(2,5-dimethylfuran-3-yl)ethyl]carbamate
CID 63789405
1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 95282642
1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea
CID 75500633

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea?
The IUPAC name of 1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea (CID 97067878) is 1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea.
What is the SMILES notation for 1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea?
The canonical SMILES for 1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea is Cc1cc([C@H](C)NC(=O)N[C@@H](C)CCS(C)(=O)=O)c(C)o1.
What is the InChIKey of 1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea?
The InChIKey is QPLRWSUBGDXCSX-ONGXEEELSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-9(6-7-21(5,18)19)15-14(17)16-11(3)13-8-10(2)20-12(13)4/h8-9,11H,6-7H2,1-5H3,(H2,15,16,17)/t9-,11-/m0/s1.
What are the key properties of 1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea?
1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea has a molecular weight of 316.42 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea is sourced from PubChem (CID 97067878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).