N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-4-(2-methoxyethylsulfonyl)benzamide

C18H30N2O4S — CID 95778205

IUPACN-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-4-(2-methoxyethylsulfonyl)benzamide
SMILESCOCCS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(C)(C)CN(C)C)cc1
InChIInChI=1S/C18H30N2O4S/c1-14(18(2,3)13-20(4)5)19-17(21)15-7-9-16(10-8-15)25(22,23)12-11-24-6/h7-10,14H,11-13H2,1-6H3,(H,19,21)/t14-/m0/s1
InChIKeyCAALPFNLMGHUNT-AWEZNQCLSA-N
MW370.52 g/mol
LogP1.81
Rot. Bonds9

About N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-4-(2-methoxyethylsulfonyl)benzamide

N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-4-(2-methoxyethylsulfonyl)benzamide (PubChem CID 95778205) has the molecular formula C18H30N2O4S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-4-(2-methoxyethylsulfonyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-4-(2-methoxyethylsulfonyl)benzamide
PubChem CID95778205
Molecular FormulaC18H30N2O4S
Molecular Weight370.52 g/mol
Exact Mass370.19
IUPAC NameN-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-4-(2-methoxyethylsulfonyl)benzamide
SMILESCOCCS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(C)(C)CN(C)C)cc1
InChIInChI=1S/C18H30N2O4S/c1-14(18(2,3)13-20(4)5)19-17(21)15-7-9-16(10-8-15)25(22,23)12-11-24-6/h7-10,14H,11-13H2,1-6H3,(H,19,21)/t14-/m0/s1
InChIKeyCAALPFNLMGHUNT-AWEZNQCLSA-N
XLogP1.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(2-methoxyethylsulfonyl)benzoyl]amino]butanoic acid
CID 119220935
(2S)-2-[[4-(2-methoxyethylsulfonyl)benzoyl]amino]-3-phenylpropanoic acid
CID 119366395
4-(2-methoxyethylsulfonyl)-N-methylsulfonylbenzamide
CID 56800656
1,4-bis(2-methoxyethylsulfonyl)benzene
CID 121011835
S-[2-[[4-(2-methoxyethylsulfonyl)benzoyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56577038
2-[[4-(2-methoxyethylsulfonyl)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 119192904
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-methoxyethylsulfonyl)benzamide;hydrochloride
CID 119573538
ethane;1-(2-methoxyethylsulfonyl)-4-propan-2-ylbenzene
CID 145380405
4-(2-methoxyethylsulfonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451105
N-[4-(dimethylamino)butan-2-yl]-4-(methoxymethyl)benzamide
CID 60600720
[4-(2-methoxyethylsulfonyl)phenyl]boronic acid
CID 67229169
4-(2-methoxyethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167659779

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-4-(2-methoxyethylsulfonyl)benzamide?
The IUPAC name of N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-4-(2-methoxyethylsulfonyl)benzamide (CID 95778205) is N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-4-(2-methoxyethylsulfonyl)benzamide.
What is the SMILES notation for N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-4-(2-methoxyethylsulfonyl)benzamide?
The canonical SMILES for N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-4-(2-methoxyethylsulfonyl)benzamide is COCCS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(C)(C)CN(C)C)cc1.
What is the InChIKey of N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-4-(2-methoxyethylsulfonyl)benzamide?
The InChIKey is CAALPFNLMGHUNT-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H30N2O4S/c1-14(18(2,3)13-20(4)5)19-17(21)15-7-9-16(10-8-15)25(22,23)12-11-24-6/h7-10,14H,11-13H2,1-6H3,(H,19,21)/t14-/m0/s1.
What are the key properties of N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-4-(2-methoxyethylsulfonyl)benzamide?
N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-4-(2-methoxyethylsulfonyl)benzamide has a molecular weight of 370.52 g/mol, XLogP of 1.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-4-(2-methoxyethylsulfonyl)benzamide is sourced from PubChem (CID 95778205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).