N-(1-adamantylmethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide

C21H30N2O3S2 — CID 26202930

IUPACN-(1-adamantylmethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H30N2O3S2/c24-19(22-14-21-11-15-7-16(12-21)9-17(8-15)13-21)10-18-3-4-20(27-18)28(25,26)23-5-1-2-6-23/h3-4,15-17H,1-2,5-14H2,(H,22,24)
InChIKeyFJVILDFRTQMVNA-UHFFFAOYSA-N
MW422.62 g/mol
LogP3.41
Rot. Bonds6

About N-(1-adamantylmethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide

N-(1-adamantylmethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 26202930) has the molecular formula C21H30N2O3S2 and a molecular weight of 422.62 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
PubChem CID26202930
Molecular FormulaC21H30N2O3S2
Molecular Weight422.62 g/mol
Exact Mass422.17
IUPAC NameN-(1-adamantylmethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H30N2O3S2/c24-19(22-14-21-11-15-7-16(12-21)9-17(8-15)13-21)10-18-3-4-20(27-18)28(25,26)23-5-1-2-6-23/h3-4,15-17H,1-2,5-14H2,(H,22,24)
InChIKeyFJVILDFRTQMVNA-UHFFFAOYSA-N
XLogP3.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.62
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119627872
N-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 51155075
N-(3-aminopropyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119407534
N-hexyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 51156188
N-[(4-methylphenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 26119177
5-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]pentanoic acid
CID 119234105
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride
CID 120946794
N-(1-adamantylmethyl)-4-(azepan-1-ylsulfonyl)benzamide
CID 7921319
N-pyrrolidin-3-yl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119451561
N-[(4-chlorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 8713130
N-[2-(4-aminophenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119548449
N-(3-aminobutyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride
CID 119497975

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-(1-adamantylmethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide (CID 26202930) is N-(1-adamantylmethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide is O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is FJVILDFRTQMVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3S2/c24-19(22-14-21-11-15-7-16(12-21)9-17(8-15)13-21)10-18-3-4-20(27-18)28(25,26)23-5-1-2-6-23/h3-4,15-17H,1-2,5-14H2,(H,22,24).
What are the key properties of N-(1-adamantylmethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
N-(1-adamantylmethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 422.62 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 26202930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).