2-[(R)-(diethylsulfamoylamino)-phenylmethyl]-1-methylimidazole

C15H22N4O2S — CID 31080245

IUPAC2-[(R)-(diethylsulfamoylamino)-phenylmethyl]-1-methylimidazole
SMILESCCN(CC)S(=O)(=O)N[C@H](c1ccccc1)c1nccn1C
InChIInChI=1S/C15H22N4O2S/c1-4-19(5-2)22(20,21)17-14(13-9-7-6-8-10-13)15-16-11-12-18(15)3/h6-12,14,17H,4-5H2,1-3H3/t14-/m1/s1
InChIKeyOMNTVNAZHYMJKC-CQSZACIVSA-N
MW322.43 g/mol
LogP1.69
Rot. Bonds7

About 2-[(R)-(diethylsulfamoylamino)-phenylmethyl]-1-methylimidazole

2-[(R)-(diethylsulfamoylamino)-phenylmethyl]-1-methylimidazole (PubChem CID 31080245) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-[(R)-(diethylsulfamoylamino)-phenylmethyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[(R)-(diethylsulfamoylamino)-phenylmethyl]-1-methylimidazole
PubChem CID31080245
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name2-[(R)-(diethylsulfamoylamino)-phenylmethyl]-1-methylimidazole
SMILESCCN(CC)S(=O)(=O)N[C@H](c1ccccc1)c1nccn1C
InChIInChI=1S/C15H22N4O2S/c1-4-19(5-2)22(20,21)17-14(13-9-7-6-8-10-13)15-16-11-12-18(15)3/h6-12,14,17H,4-5H2,1-3H3/t14-/m1/s1
InChIKeyOMNTVNAZHYMJKC-CQSZACIVSA-N
XLogP1.69
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(S)-(diethylsulfamoylamino)-(4-fluorophenyl)methyl]-1-methylimidazole
CID 31080259
2-[(4-chlorophenyl)-(diethylsulfamoylamino)methyl]-1-methylimidazole
CID 46511184
2-[(dimethylsulfamoylamino)-phenylmethyl]-1-methylimidazole
CID 47164910
1-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-N,4-N-diethylbenzene-1,4-disulfonamide
CID 24541093
3,4-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 17397983
4-tert-butyl-2,6-dimethyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 27690542
4-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 46653959
N-[(1-methylimidazol-2-yl)-phenylmethyl]aniline
CID 12062920
1-ethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 125161306
1-methyl-2-(1-phenylpropyl)imidazole
CID 67056293
8-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]quinoline-5-sulfonamide
CID 55545410
3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(diethylsulfamoylamino)-phenylmethyl]-1-methylimidazole?
The IUPAC name of 2-[(R)-(diethylsulfamoylamino)-phenylmethyl]-1-methylimidazole (CID 31080245) is 2-[(R)-(diethylsulfamoylamino)-phenylmethyl]-1-methylimidazole.
What is the SMILES notation for 2-[(R)-(diethylsulfamoylamino)-phenylmethyl]-1-methylimidazole?
The canonical SMILES for 2-[(R)-(diethylsulfamoylamino)-phenylmethyl]-1-methylimidazole is CCN(CC)S(=O)(=O)N[C@H](c1ccccc1)c1nccn1C.
What is the InChIKey of 2-[(R)-(diethylsulfamoylamino)-phenylmethyl]-1-methylimidazole?
The InChIKey is OMNTVNAZHYMJKC-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-4-19(5-2)22(20,21)17-14(13-9-7-6-8-10-13)15-16-11-12-18(15)3/h6-12,14,17H,4-5H2,1-3H3/t14-/m1/s1.
What are the key properties of 2-[(R)-(diethylsulfamoylamino)-phenylmethyl]-1-methylimidazole?
2-[(R)-(diethylsulfamoylamino)-phenylmethyl]-1-methylimidazole has a molecular weight of 322.43 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(diethylsulfamoylamino)-phenylmethyl]-1-methylimidazole is sourced from PubChem (CID 31080245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).