1-[3-(dimethylsulfamoylamino)phenyl]-3-[[(2R)-1,4-dioxan-2-yl]methyl]urea

C14H22N4O5S — CID 125180090

IUPAC1-[3-(dimethylsulfamoylamino)phenyl]-3-[[(2R)-1,4-dioxan-2-yl]methyl]urea
SMILESCN(C)S(=O)(=O)Nc1cccc(NC(=O)NC[C@@H]2COCCO2)c1
InChIInChI=1S/C14H22N4O5S/c1-18(2)24(20,21)17-12-5-3-4-11(8-12)16-14(19)15-9-13-10-22-6-7-23-13/h3-5,8,13,17H,6-7,9-10H2,1-2H3,(H2,15,16,19)/t13-/m1/s1
InChIKeyYQFSJEGLZVKBHI-CYBMUJFWSA-N
MW358.42 g/mol
LogP0.44
Rot. Bonds6

About 1-[3-(dimethylsulfamoylamino)phenyl]-3-[[(2R)-1,4-dioxan-2-yl]methyl]urea

1-[3-(dimethylsulfamoylamino)phenyl]-3-[[(2R)-1,4-dioxan-2-yl]methyl]urea (PubChem CID 125180090) has the molecular formula C14H22N4O5S and a molecular weight of 358.42 g/mol. Its IUPAC name is 1-[3-(dimethylsulfamoylamino)phenyl]-3-[[(2R)-1,4-dioxan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[3-(dimethylsulfamoylamino)phenyl]-3-[[(2R)-1,4-dioxan-2-yl]methyl]urea
PubChem CID125180090
Molecular FormulaC14H22N4O5S
Molecular Weight358.42 g/mol
Exact Mass358.13
IUPAC Name1-[3-(dimethylsulfamoylamino)phenyl]-3-[[(2R)-1,4-dioxan-2-yl]methyl]urea
SMILESCN(C)S(=O)(=O)Nc1cccc(NC(=O)NC[C@@H]2COCCO2)c1
InChIInChI=1S/C14H22N4O5S/c1-18(2)24(20,21)17-12-5-3-4-11(8-12)16-14(19)15-9-13-10-22-6-7-23-13/h3-5,8,13,17H,6-7,9-10H2,1-2H3,(H2,15,16,19)/t13-/m1/s1
InChIKeyYQFSJEGLZVKBHI-CYBMUJFWSA-N
XLogP0.44
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[3-(dimethylsulfamoylamino)phenyl]-3-[[(2R)-1,4-dioxan-2-yl]methyl]urea with MolForge

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Related Compounds

1-[3-(dimethylsulfamoylamino)phenyl]-3-[[(6R)-4-methyl-1,4-oxazepan-6-yl]methyl]urea
CID 97453787
1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-(4-methylsulfonylphenyl)urea
CID 94652752
1-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(4-methylsulfonylphenyl)urea
CID 94652754
1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea
CID 125161615
1-(2H-benzotriazol-5-yl)-3-[[(2S)-1,4-dioxan-2-yl]methyl]urea
CID 125157213
1-[[(2S)-1,4-dioxan-2-yl]methyl]-3-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylurea
CID 94652916
ethyl N-[4-[[(2S)-1,4-dioxan-2-yl]methylcarbamoylamino]phenyl]carbamate
CID 94653303
1-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-[3-(dimethylsulfamoylamino)phenyl]urea
CID 72918904
1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(4-methoxyphenyl)phenyl]urea
CID 125178084
1-[[(2S)-1,4-dioxan-2-yl]methyl]-3-[4-phenyl-3-(trifluoromethyl)phenyl]urea
CID 94655499
4-[[(2R)-1,4-dioxan-2-yl]methylcarbamoylamino]-N-ethyl-N-phenylbenzamide
CID 97283753
1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(2-methoxyphenoxy)phenyl]urea
CID 94652910

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylsulfamoylamino)phenyl]-3-[[(2R)-1,4-dioxan-2-yl]methyl]urea?
The IUPAC name of 1-[3-(dimethylsulfamoylamino)phenyl]-3-[[(2R)-1,4-dioxan-2-yl]methyl]urea (CID 125180090) is 1-[3-(dimethylsulfamoylamino)phenyl]-3-[[(2R)-1,4-dioxan-2-yl]methyl]urea.
What is the SMILES notation for 1-[3-(dimethylsulfamoylamino)phenyl]-3-[[(2R)-1,4-dioxan-2-yl]methyl]urea?
The canonical SMILES for 1-[3-(dimethylsulfamoylamino)phenyl]-3-[[(2R)-1,4-dioxan-2-yl]methyl]urea is CN(C)S(=O)(=O)Nc1cccc(NC(=O)NC[C@@H]2COCCO2)c1.
What is the InChIKey of 1-[3-(dimethylsulfamoylamino)phenyl]-3-[[(2R)-1,4-dioxan-2-yl]methyl]urea?
The InChIKey is YQFSJEGLZVKBHI-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22N4O5S/c1-18(2)24(20,21)17-12-5-3-4-11(8-12)16-14(19)15-9-13-10-22-6-7-23-13/h3-5,8,13,17H,6-7,9-10H2,1-2H3,(H2,15,16,19)/t13-/m1/s1.
What are the key properties of 1-[3-(dimethylsulfamoylamino)phenyl]-3-[[(2R)-1,4-dioxan-2-yl]methyl]urea?
1-[3-(dimethylsulfamoylamino)phenyl]-3-[[(2R)-1,4-dioxan-2-yl]methyl]urea has a molecular weight of 358.42 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylsulfamoylamino)phenyl]-3-[[(2R)-1,4-dioxan-2-yl]methyl]urea is sourced from PubChem (CID 125180090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).