N-[1-(1-adamantyl)propyl]-3-morpholin-4-ylsulfonylbenzamide

C24H34N2O4S — CID 43011512

IUPACN-[1-(1-adamantyl)propyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCCC(NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H34N2O4S/c1-2-22(24-14-17-10-18(15-24)12-19(11-17)16-24)25-23(27)20-4-3-5-21(13-20)31(28,29)26-6-8-30-9-7-26/h3-5,13,17-19,22H,2,6-12,14-16H2,1H3,(H,25,27)
InChIKeyHXJYJTXXUOYRSB-UHFFFAOYSA-N
MW446.61 g/mol
LogP3.43
Rot. Bonds6

About N-[1-(1-adamantyl)propyl]-3-morpholin-4-ylsulfonylbenzamide

N-[1-(1-adamantyl)propyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 43011512) has the molecular formula C24H34N2O4S and a molecular weight of 446.61 g/mol. Its IUPAC name is N-[1-(1-adamantyl)propyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)propyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID43011512
Molecular FormulaC24H34N2O4S
Molecular Weight446.61 g/mol
Exact Mass446.22
IUPAC NameN-[1-(1-adamantyl)propyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCCC(NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H34N2O4S/c1-2-22(24-14-17-10-18(15-24)12-19(11-17)16-24)25-23(27)20-4-3-5-21(13-20)31(28,29)26-6-8-30-9-7-26/h3-5,13,17-19,22H,2,6-12,14-16H2,1H3,(H,25,27)
InChIKeyHXJYJTXXUOYRSB-UHFFFAOYSA-N
XLogP3.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.61
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024
N-[(1R)-1-(1-adamantyl)propyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 51923318
N-[(1R)-1-(1-adamantyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 7929606
N-[1-(1-adamantyl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 42989962
N-[2-(1-adamantyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 4020681
N-[(2R)-5-methylhexan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 7688948
N-[1-(1-adamantyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 5051760
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 45353538
3-morpholin-4-ylsulfonyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733022
3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 4541490
N-(2-amino-1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 119615604
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 8936210

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)propyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[1-(1-adamantyl)propyl]-3-morpholin-4-ylsulfonylbenzamide (CID 43011512) is N-[1-(1-adamantyl)propyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[1-(1-adamantyl)propyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[1-(1-adamantyl)propyl]-3-morpholin-4-ylsulfonylbenzamide is CCC(NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)propyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is HXJYJTXXUOYRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O4S/c1-2-22(24-14-17-10-18(15-24)12-19(11-17)16-24)25-23(27)20-4-3-5-21(13-20)31(28,29)26-6-8-30-9-7-26/h3-5,13,17-19,22H,2,6-12,14-16H2,1H3,(H,25,27).
What are the key properties of N-[1-(1-adamantyl)propyl]-3-morpholin-4-ylsulfonylbenzamide?
N-[1-(1-adamantyl)propyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 446.61 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)propyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 43011512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).