N-[(2S)-2-(1-adamantyloxy)propyl]-4-(dimethylsulfamoyl)benzamide

C22H32N2O4S — CID 7319718

IUPACN-[(2S)-2-(1-adamantyloxy)propyl]-4-(dimethylsulfamoyl)benzamide
SMILESC[C@@H](CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H32N2O4S/c1-15(28-22-11-16-8-17(12-22)10-18(9-16)13-22)14-23-21(25)19-4-6-20(7-5-19)29(26,27)24(2)3/h4-7,15-18H,8-14H2,1-3H3,(H,23,25)/t15-,16?,17?,18?,22?/m0/s1
InChIKeyWXRKJXBTAVRQIP-BZSISCHUSA-N
MW420.58 g/mol
LogP3.04
Rot. Bonds7

About N-[(2S)-2-(1-adamantyloxy)propyl]-4-(dimethylsulfamoyl)benzamide

N-[(2S)-2-(1-adamantyloxy)propyl]-4-(dimethylsulfamoyl)benzamide (PubChem CID 7319718) has the molecular formula C22H32N2O4S and a molecular weight of 420.58 g/mol. Its IUPAC name is N-[(2S)-2-(1-adamantyloxy)propyl]-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-2-(1-adamantyloxy)propyl]-4-(dimethylsulfamoyl)benzamide
PubChem CID7319718
Molecular FormulaC22H32N2O4S
Molecular Weight420.58 g/mol
Exact Mass420.21
IUPAC NameN-[(2S)-2-(1-adamantyloxy)propyl]-4-(dimethylsulfamoyl)benzamide
SMILESC[C@@H](CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H32N2O4S/c1-15(28-22-11-16-8-17(12-22)10-18(9-16)13-22)14-23-21(25)19-4-6-20(7-5-19)29(26,27)24(2)3/h4-7,15-18H,8-14H2,1-3H3,(H,23,25)/t15-,16?,17?,18?,22?/m0/s1
InChIKeyWXRKJXBTAVRQIP-BZSISCHUSA-N
XLogP3.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(1-adamantyloxy)propyl]-4-methylbenzamide
CID 8990543
N-[(2S)-2-(1-adamantyloxy)propyl]-4-methylbenzamide
CID 8990544
4-(dimethylsulfamoyl)-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65031807
4-(dimethylsulfamoyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 9301395
N-[4-[[(2R)-2-(1-adamantyloxy)propyl]sulfamoyl]phenyl]acetamide
CID 7304987
N-[(2S)-2-(1-adamantyloxy)propyl]-2,3,4-trimethoxybenzamide
CID 7322140
4-(dimethylsulfamoyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 90496546
4-(dimethylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 41192964
methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]propanoate
CID 26635200
N,N-dimethyl-4-(4-methyl-3-oxopentanoyl)benzenesulfonamide
CID 63319990
N-[3-(cyclopropylmethoxy)propyl]-4-(dimethylsulfamoyl)benzamide
CID 18120892
4-(dimethylsulfamoyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 112990991

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(1-adamantyloxy)propyl]-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[(2S)-2-(1-adamantyloxy)propyl]-4-(dimethylsulfamoyl)benzamide (CID 7319718) is N-[(2S)-2-(1-adamantyloxy)propyl]-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(2S)-2-(1-adamantyloxy)propyl]-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[(2S)-2-(1-adamantyloxy)propyl]-4-(dimethylsulfamoyl)benzamide is C[C@@H](CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)OC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(2S)-2-(1-adamantyloxy)propyl]-4-(dimethylsulfamoyl)benzamide?
The InChIKey is WXRKJXBTAVRQIP-BZSISCHUSA-N. The full InChI is InChI=1S/C22H32N2O4S/c1-15(28-22-11-16-8-17(12-22)10-18(9-16)13-22)14-23-21(25)19-4-6-20(7-5-19)29(26,27)24(2)3/h4-7,15-18H,8-14H2,1-3H3,(H,23,25)/t15-,16?,17?,18?,22?/m0/s1.
What are the key properties of N-[(2S)-2-(1-adamantyloxy)propyl]-4-(dimethylsulfamoyl)benzamide?
N-[(2S)-2-(1-adamantyloxy)propyl]-4-(dimethylsulfamoyl)benzamide has a molecular weight of 420.58 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(1-adamantyloxy)propyl]-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 7319718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).