N-[2-(1-adamantyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide

C23H32N2O4S — CID 4020681

IUPACN-[2-(1-adamantyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCCC12CC3CC(CC(C3)C1)C2)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C23H32N2O4S/c26-22(24-5-4-23-14-17-10-18(15-23)12-19(11-17)16-23)20-2-1-3-21(13-20)30(27,28)25-6-8-29-9-7-25/h1-3,13,17-19H,4-12,14-16H2,(H,24,26)
InChIKeyXUSPORDKVQGKFO-UHFFFAOYSA-N
MW432.59 g/mol
LogP3.04
Rot. Bonds6

About N-[2-(1-adamantyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide

N-[2-(1-adamantyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 4020681) has the molecular formula C23H32N2O4S and a molecular weight of 432.59 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID4020681
Molecular FormulaC23H32N2O4S
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC NameN-[2-(1-adamantyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCCC12CC3CC(CC(C3)C1)C2)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C23H32N2O4S/c26-22(24-5-4-23-14-17-10-18(15-23)12-19(11-17)16-23)20-2-1-3-21(13-20)30(27,28)25-6-8-29-9-7-25/h1-3,13,17-19H,4-12,14-16H2,(H,24,26)
InChIKeyXUSPORDKVQGKFO-UHFFFAOYSA-N
XLogP3.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 110424101
N-[1-(1-adamantyl)propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 43011512
N-[2-(dimethylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 50945849
3-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 27770200
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198
3-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide
CID 2711286
N-(3-morpholin-4-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2329278
N-[2-(4-aminophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119548741
3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2963679
N-[2-(1-adamantyl)ethyl]-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26212163
N-(1-adamantylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26202942
N-[(5-bromothiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide
CID 32775606

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(1-adamantyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide (CID 4020681) is N-[2-(1-adamantyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide is O=C(NCCC12CC3CC(CC(C3)C1)C2)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is XUSPORDKVQGKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4S/c26-22(24-5-4-23-14-17-10-18(15-23)12-19(11-17)16-23)20-2-1-3-21(13-20)30(27,28)25-6-8-29-9-7-25/h1-3,13,17-19H,4-12,14-16H2,(H,24,26).
What are the key properties of N-[2-(1-adamantyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide?
N-[2-(1-adamantyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 432.59 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 4020681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).