1-[(2S)-1-methoxypropan-2-yl]-3-(4-methylsulfonylphenyl)urea

C12H18N2O4S — CID 94820739

IUPAC1-[(2S)-1-methoxypropan-2-yl]-3-(4-methylsulfonylphenyl)urea
SMILESCOC[C@H](C)NC(=O)Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C12H18N2O4S/c1-9(8-18-2)13-12(15)14-10-4-6-11(7-5-10)19(3,16)17/h4-7,9H,8H2,1-3H3,(H2,13,14,15)/t9-/m0/s1
InChIKeyVEWMYPQCQFPHNM-VIFPVBQESA-N
MW286.35 g/mol
LogP1.25
Rot. Bonds5

About 1-[(2S)-1-methoxypropan-2-yl]-3-(4-methylsulfonylphenyl)urea

1-[(2S)-1-methoxypropan-2-yl]-3-(4-methylsulfonylphenyl)urea (PubChem CID 94820739) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-[(2S)-1-methoxypropan-2-yl]-3-(4-methylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-[(2S)-1-methoxypropan-2-yl]-3-(4-methylsulfonylphenyl)urea
PubChem CID94820739
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name1-[(2S)-1-methoxypropan-2-yl]-3-(4-methylsulfonylphenyl)urea
SMILESCOC[C@H](C)NC(=O)Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C12H18N2O4S/c1-9(8-18-2)13-12(15)14-10-4-6-11(7-5-10)19(3,16)17/h4-7,9H,8H2,1-3H3,(H2,13,14,15)/t9-/m0/s1
InChIKeyVEWMYPQCQFPHNM-VIFPVBQESA-N
XLogP1.25
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methoxypropan-2-yl)-3-(4-methylsulfonylphenyl)thiourea
CID 116507292
4-[[(2S)-1-methoxypropan-2-yl]carbamoylamino]-N-methylbenzamide
CID 94811602
1-(3-methoxypropyl)-3-(4-methylsulfonylphenyl)urea
CID 47197998
1-[(2S)-1-methoxypropan-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 95121864
1-[4-(1-cyanoethylsulfonyl)phenyl]-3-(4-methoxybutan-2-yl)urea
CID 102563639
1-[4-[(1R)-1-cyanoethyl]sulfonylphenyl]-3-[(2R)-4-methoxybutan-2-yl]urea
CID 99800160
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303
2-methoxy-N-(4-methylsulfonylphenyl)propanamide
CID 47300837
1-(4-methylphenyl)-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea
CID 27734788
1-(4-chlorophenyl)-3-[(2S)-4-methoxybutan-2-yl]urea
CID 124872443
1-(1-methoxypropan-2-yl)-3-pyridin-3-ylurea
CID 51264614
(2S)-4-hydroxy-2-[(4-methylsulfonylphenyl)carbamoylamino]butanoic acid
CID 107825809

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-methoxypropan-2-yl]-3-(4-methylsulfonylphenyl)urea?
The IUPAC name of 1-[(2S)-1-methoxypropan-2-yl]-3-(4-methylsulfonylphenyl)urea (CID 94820739) is 1-[(2S)-1-methoxypropan-2-yl]-3-(4-methylsulfonylphenyl)urea.
What is the SMILES notation for 1-[(2S)-1-methoxypropan-2-yl]-3-(4-methylsulfonylphenyl)urea?
The canonical SMILES for 1-[(2S)-1-methoxypropan-2-yl]-3-(4-methylsulfonylphenyl)urea is COC[C@H](C)NC(=O)Nc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-[(2S)-1-methoxypropan-2-yl]-3-(4-methylsulfonylphenyl)urea?
The InChIKey is VEWMYPQCQFPHNM-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-9(8-18-2)13-12(15)14-10-4-6-11(7-5-10)19(3,16)17/h4-7,9H,8H2,1-3H3,(H2,13,14,15)/t9-/m0/s1.
What are the key properties of 1-[(2S)-1-methoxypropan-2-yl]-3-(4-methylsulfonylphenyl)urea?
1-[(2S)-1-methoxypropan-2-yl]-3-(4-methylsulfonylphenyl)urea has a molecular weight of 286.35 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-methoxypropan-2-yl]-3-(4-methylsulfonylphenyl)urea is sourced from PubChem (CID 94820739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).