1-[3-(dimethylsulfamoylamino)phenyl]-3-[(2R)-1-imidazol-1-ylbutan-2-yl]urea

C16H24N6O3S — CID 97455536

IUPAC1-[3-(dimethylsulfamoylamino)phenyl]-3-[(2R)-1-imidazol-1-ylbutan-2-yl]urea
SMILESCC[C@H](Cn1ccnc1)NC(=O)Nc1cccc(NS(=O)(=O)N(C)C)c1
InChIInChI=1S/C16H24N6O3S/c1-4-13(11-22-9-8-17-12-22)18-16(23)19-14-6-5-7-15(10-14)20-26(24,25)21(2)3/h5-10,12-13,20H,4,11H2,1-3H3,(H2,18,19,23)/t13-/m1/s1
InChIKeyVCKLVQCUPCEVDJ-CYBMUJFWSA-N
MW380.47 g/mol
LogP1.70
Rot. Bonds8

About 1-[3-(dimethylsulfamoylamino)phenyl]-3-[(2R)-1-imidazol-1-ylbutan-2-yl]urea

1-[3-(dimethylsulfamoylamino)phenyl]-3-[(2R)-1-imidazol-1-ylbutan-2-yl]urea (PubChem CID 97455536) has the molecular formula C16H24N6O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-[3-(dimethylsulfamoylamino)phenyl]-3-[(2R)-1-imidazol-1-ylbutan-2-yl]urea.

Molecular Properties

Compound Name1-[3-(dimethylsulfamoylamino)phenyl]-3-[(2R)-1-imidazol-1-ylbutan-2-yl]urea
PubChem CID97455536
Molecular FormulaC16H24N6O3S
Molecular Weight380.47 g/mol
Exact Mass380.16
IUPAC Name1-[3-(dimethylsulfamoylamino)phenyl]-3-[(2R)-1-imidazol-1-ylbutan-2-yl]urea
SMILESCC[C@H](Cn1ccnc1)NC(=O)Nc1cccc(NS(=O)(=O)N(C)C)c1
InChIInChI=1S/C16H24N6O3S/c1-4-13(11-22-9-8-17-12-22)18-16(23)19-14-6-5-7-15(10-14)20-26(24,25)21(2)3/h5-10,12-13,20H,4,11H2,1-3H3,(H2,18,19,23)/t13-/m1/s1
InChIKeyVCKLVQCUPCEVDJ-CYBMUJFWSA-N
XLogP1.70
TPSA108.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1-imidazol-1-ylbutan-2-ylcarbamoylamino)phenyl]-2-methoxyacetamide
CID 72895830
1-(2,3-dimethylquinoxalin-6-yl)-3-[(2S)-1-imidazol-1-ylbutan-2-yl]urea
CID 97284208
1-[3-(dimethylsulfamoylamino)phenyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 72922256
1-(5-fluoro-2-methylphenyl)-3-(1-imidazol-1-ylbutan-2-yl)urea
CID 118790076
1-[3-(aminomethyl)phenyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
CID 61481054
N-(1-imidazol-1-ylpropan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 51087077
1-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-[3-(dimethylsulfamoylamino)phenyl]urea
CID 72918904
1-(1-imidazol-1-ylbutan-2-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea;2,2,2-trifluoroacetic acid
CID 154887743
1-[(2R)-1-imidazol-1-ylbutan-2-yl]-3-(6-methoxy-1,3-benzodioxol-5-yl)urea
CID 97446086
2-fluoro-N-(1-imidazol-1-ylbutan-2-yl)-6-methoxybenzamide
CID 91778772
1-[(2R)-1-imidazol-1-ylbutan-2-yl]-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]urea
CID 39782327
2-bromo-N-(1-imidazol-1-ylbutan-2-yl)acetamide
CID 82110009

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylsulfamoylamino)phenyl]-3-[(2R)-1-imidazol-1-ylbutan-2-yl]urea?
The IUPAC name of 1-[3-(dimethylsulfamoylamino)phenyl]-3-[(2R)-1-imidazol-1-ylbutan-2-yl]urea (CID 97455536) is 1-[3-(dimethylsulfamoylamino)phenyl]-3-[(2R)-1-imidazol-1-ylbutan-2-yl]urea.
What is the SMILES notation for 1-[3-(dimethylsulfamoylamino)phenyl]-3-[(2R)-1-imidazol-1-ylbutan-2-yl]urea?
The canonical SMILES for 1-[3-(dimethylsulfamoylamino)phenyl]-3-[(2R)-1-imidazol-1-ylbutan-2-yl]urea is CC[C@H](Cn1ccnc1)NC(=O)Nc1cccc(NS(=O)(=O)N(C)C)c1.
What is the InChIKey of 1-[3-(dimethylsulfamoylamino)phenyl]-3-[(2R)-1-imidazol-1-ylbutan-2-yl]urea?
The InChIKey is VCKLVQCUPCEVDJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N6O3S/c1-4-13(11-22-9-8-17-12-22)18-16(23)19-14-6-5-7-15(10-14)20-26(24,25)21(2)3/h5-10,12-13,20H,4,11H2,1-3H3,(H2,18,19,23)/t13-/m1/s1.
What are the key properties of 1-[3-(dimethylsulfamoylamino)phenyl]-3-[(2R)-1-imidazol-1-ylbutan-2-yl]urea?
1-[3-(dimethylsulfamoylamino)phenyl]-3-[(2R)-1-imidazol-1-ylbutan-2-yl]urea has a molecular weight of 380.47 g/mol, XLogP of 1.70, 8 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-imidazol-1-ylbutan-2-yl]urea is sourced from PubChem (CID 97455536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).