N-(1-adamantylmethyl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide

C20H28N2O4S2 — CID 38075450

IUPACN-(1-adamantylmethyl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1sccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H28N2O4S2/c23-19(21-13-20-10-14-7-15(11-20)9-16(8-14)12-20)18-17(1-6-27-18)28(24,25)22-2-4-26-5-3-22/h1,6,14-16H,2-5,7-13H2,(H,21,23)
InChIKeyNYTZANKINNMEOT-UHFFFAOYSA-N
MW424.59 g/mol
LogP2.72
Rot. Bonds5

About N-(1-adamantylmethyl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide

N-(1-adamantylmethyl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide (PubChem CID 38075450) has the molecular formula C20H28N2O4S2 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
PubChem CID38075450
Molecular FormulaC20H28N2O4S2
Molecular Weight424.59 g/mol
Exact Mass424.15
IUPAC NameN-(1-adamantylmethyl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1sccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H28N2O4S2/c23-19(21-13-20-10-14-7-15(11-20)9-16(8-14)12-20)18-17(1-6-27-18)28(24,25)22-2-4-26-5-3-22/h1,6,14-16H,2-5,7-13H2,(H,21,23)
InChIKeyNYTZANKINNMEOT-UHFFFAOYSA-N
XLogP2.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-adamantylmethyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 38028874
N-(1-adamantylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26202942
3-morpholin-4-ylsulfonylthiophene-2-carbohydrazide
CID 16646041
3-morpholin-4-ylsulfonyl-N-prop-2-enylthiophene-2-carboxamide
CID 25391714
2,2-dimethyl-3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]propanoic acid
CID 119249833
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 120945933
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 119455908
3-morpholin-4-ylsulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 22108462
3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]butanoic acid
CID 119221163
3-morpholin-4-ylsulfonyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119386595
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 55510466
N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55642193

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide (CID 38075450) is N-(1-adamantylmethyl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide is O=C(NCC12CC3CC(CC(C3)C1)C2)c1sccc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(1-adamantylmethyl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The InChIKey is NYTZANKINNMEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4S2/c23-19(21-13-20-10-14-7-15(11-20)9-16(8-14)12-20)18-17(1-6-27-18)28(24,25)22-2-4-26-5-3-22/h1,6,14-16H,2-5,7-13H2,(H,21,23).
What are the key properties of N-(1-adamantylmethyl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide?
N-(1-adamantylmethyl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide has a molecular weight of 424.59 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 38075450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).