2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-N-(furan-2-ylmethyl)butanamide

C22H25N3O5S2 — CID 3206824

IUPAC2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-N-(furan-2-ylmethyl)butanamide
SMILESCCC(C(=O)NCc1ccco1)N(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H25N3O5S2/c1-2-20(22(27)23-14-17-8-6-12-30-17)25(16-18-9-7-13-31-18)21(26)15-24-32(28,29)19-10-4-3-5-11-19/h3-13,20,24H,2,14-16H2,1H3,(H,23,27)
InChIKeySKXVMQMAMHXJRY-UHFFFAOYSA-N
MW475.59 g/mol
LogP2.74
Rot. Bonds11

About 2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-N-(furan-2-ylmethyl)butanamide

2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-N-(furan-2-ylmethyl)butanamide (PubChem CID 3206824) has the molecular formula C22H25N3O5S2 and a molecular weight of 475.59 g/mol. Its IUPAC name is 2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-N-(furan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-N-(furan-2-ylmethyl)butanamide
PubChem CID3206824
Molecular FormulaC22H25N3O5S2
Molecular Weight475.59 g/mol
Exact Mass475.12
IUPAC Name2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-N-(furan-2-ylmethyl)butanamide
SMILESCCC(C(=O)NCc1ccco1)N(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H25N3O5S2/c1-2-20(22(27)23-14-17-8-6-12-30-17)25(16-18-9-7-13-31-18)21(26)15-24-32(28,29)19-10-4-3-5-11-19/h3-13,20,24H,2,14-16H2,1H3,(H,23,27)
InChIKeySKXVMQMAMHXJRY-UHFFFAOYSA-N
XLogP2.74
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-N-(furan-2-ylmethyl)butanamide with MolForge

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Related Compounds

2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)butanamide
CID 3206862
2-(N-[2-[(4-chlorophenyl)sulfonylamino]acetyl]anilino)-N-(furan-2-ylmethyl)butanamide
CID 3207131
2-(2-fluoro-N-[2-[(4-methylphenyl)sulfonylamino]acetyl]anilino)-N-(furan-2-ylmethyl)butanamide
CID 3206939
N-[2-[[(1S)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 25316603
2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 3206863
N-(furan-2-ylmethyl)-2-[(4-phenylphenyl)sulfonylamino]acetamide
CID 87024650
N-(furan-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 38254401
2-(benzenesulfonamido)-N-[(4-chlorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 3207219
N'-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)oxamide
CID 27564557
2-[cyclopentyl-[2-[(4-fluorophenyl)sulfonylamino]acetyl]amino]-N-(furan-2-ylmethyl)pentanamide
CID 3206997
2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 654223
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41111102

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-N-(furan-2-ylmethyl)butanamide?
The IUPAC name of 2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-N-(furan-2-ylmethyl)butanamide (CID 3206824) is 2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-N-(furan-2-ylmethyl)butanamide.
What is the SMILES notation for 2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-N-(furan-2-ylmethyl)butanamide?
The canonical SMILES for 2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-N-(furan-2-ylmethyl)butanamide is CCC(C(=O)NCc1ccco1)N(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-N-(furan-2-ylmethyl)butanamide?
The InChIKey is SKXVMQMAMHXJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S2/c1-2-20(22(27)23-14-17-8-6-12-30-17)25(16-18-9-7-13-31-18)21(26)15-24-32(28,29)19-10-4-3-5-11-19/h3-13,20,24H,2,14-16H2,1H3,(H,23,27).
What are the key properties of 2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-N-(furan-2-ylmethyl)butanamide?
2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-N-(furan-2-ylmethyl)butanamide has a molecular weight of 475.59 g/mol, XLogP of 2.74, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-N-(furan-2-ylmethyl)butanamide is sourced from PubChem (CID 3206824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).