N-(1-adamantyl)-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide

C19H28N2O3S2 — CID 17440887

IUPACN-(1-adamantyl)-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
SMILESCN(CCCC(=O)NC12CC3CC(CC(C3)C1)C2)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H28N2O3S2/c1-21(26(23,24)18-5-3-7-25-18)6-2-4-17(22)20-19-11-14-8-15(12-19)10-16(9-14)13-19/h3,5,7,14-16H,2,4,6,8-13H2,1H3,(H,20,22)
InChIKeyHGVPSNITEMDRBA-UHFFFAOYSA-N
MW396.58 g/mol
LogP3.23
Rot. Bonds7

About N-(1-adamantyl)-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide

N-(1-adamantyl)-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide (PubChem CID 17440887) has the molecular formula C19H28N2O3S2 and a molecular weight of 396.58 g/mol. Its IUPAC name is N-(1-adamantyl)-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
PubChem CID17440887
Molecular FormulaC19H28N2O3S2
Molecular Weight396.58 g/mol
Exact Mass396.15
IUPAC NameN-(1-adamantyl)-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
SMILESCN(CCCC(=O)NC12CC3CC(CC(C3)C1)C2)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H28N2O3S2/c1-21(26(23,24)18-5-3-7-25-18)6-2-4-17(22)20-19-11-14-8-15(12-19)10-16(9-14)13-19/h3,5,7,14-16H,2,4,6,8-13H2,1H3,(H,20,22)
InChIKeyHGVPSNITEMDRBA-UHFFFAOYSA-N
XLogP3.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methylpropanoylamino)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24666466
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)butanamide
CID 18136265
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-(oxolan-2-ylmethyl)butanamide
CID 18160350
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide
CID 167766558
N-butyl-N-methylthiophene-2-sulfonamide
CID 4992196
N-[(4-methylphenyl)-phenylmethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24596245
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24681923
N-[(4-fluoro-3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 18138818
N-[1-(3,4-dichlorophenyl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24596037
N-[1-(1-benzofuran-2-yl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 42930432
N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 29477015
5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]pentanoic acid
CID 62032128

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
The IUPAC name of N-(1-adamantyl)-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide (CID 17440887) is N-(1-adamantyl)-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide.
What is the SMILES notation for N-(1-adamantyl)-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
The canonical SMILES for N-(1-adamantyl)-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide is CN(CCCC(=O)NC12CC3CC(CC(C3)C1)C2)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(1-adamantyl)-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
The InChIKey is HGVPSNITEMDRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S2/c1-21(26(23,24)18-5-3-7-25-18)6-2-4-17(22)20-19-11-14-8-15(12-19)10-16(9-14)13-19/h3,5,7,14-16H,2,4,6,8-13H2,1H3,(H,20,22).
What are the key properties of N-(1-adamantyl)-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
N-(1-adamantyl)-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide has a molecular weight of 396.58 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide is sourced from PubChem (CID 17440887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).