N-(2-methyl-1-thiophen-2-ylpropyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetamide

C20H25N5O5S2 — CID 24581802

IUPACN-(2-methyl-1-thiophen-2-ylpropyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetamide
SMILESCC(C)C(NC(=O)COn1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21)c1cccs1
InChIInChI=1S/C20H25N5O5S2/c1-14(2)20(18-4-3-11-31-18)21-19(26)13-30-25-17-12-15(5-6-16(17)22-23-25)32(27,28)24-7-9-29-10-8-24/h3-6,11-12,14,20H,7-10,13H2,1-2H3,(H,21,26)
InChIKeyRKSYLHXWABTMQX-UHFFFAOYSA-N
MW479.58 g/mol
LogP1.46
Rot. Bonds8

About N-(2-methyl-1-thiophen-2-ylpropyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetamide

N-(2-methyl-1-thiophen-2-ylpropyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetamide (PubChem CID 24581802) has the molecular formula C20H25N5O5S2 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-(2-methyl-1-thiophen-2-ylpropyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2-methyl-1-thiophen-2-ylpropyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetamide
PubChem CID24581802
Molecular FormulaC20H25N5O5S2
Molecular Weight479.58 g/mol
Exact Mass479.13
IUPAC NameN-(2-methyl-1-thiophen-2-ylpropyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetamide
SMILESCC(C)C(NC(=O)COn1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21)c1cccs1
InChIInChI=1S/C20H25N5O5S2/c1-14(2)20(18-4-3-11-31-18)21-19(26)13-30-25-17-12-15(5-6-16(17)22-23-25)32(27,28)24-7-9-29-10-8-24/h3-6,11-12,14,20H,7-10,13H2,1-2H3,(H,21,26)
InChIKeyRKSYLHXWABTMQX-UHFFFAOYSA-N
XLogP1.46
TPSA115.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-phenylbutan-2-yl)acetamide
CID 42969787
N-methyl-3-[[2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetyl]amino]benzamide
CID 24581799
2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-propylphenyl)acetamide
CID 24581801
N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-4-morpholin-4-ylsulfonylbenzamide
CID 9051733
N-[(2-chlorophenyl)methyl]-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxypropanamide
CID 24512070
1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyethanone
CID 24581806
N-(2-ethyl-1-thiophen-2-ylbutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 55903780
2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-[(1S)-1-phenylethyl]acetamide
CID 7701532
N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide
CID 41167304
N-(2-methyl-1-thiophen-2-ylpropyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 24571411
4-[3-[(1-butyltetrazol-5-yl)methoxy]benzotriazol-5-yl]sulfonylmorpholine
CID 55626704
3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]propanamide
CID 25367955

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-thiophen-2-ylpropyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetamide?
The IUPAC name of N-(2-methyl-1-thiophen-2-ylpropyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetamide (CID 24581802) is N-(2-methyl-1-thiophen-2-ylpropyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetamide.
What is the SMILES notation for N-(2-methyl-1-thiophen-2-ylpropyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetamide?
The canonical SMILES for N-(2-methyl-1-thiophen-2-ylpropyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetamide is CC(C)C(NC(=O)COn1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21)c1cccs1.
What is the InChIKey of N-(2-methyl-1-thiophen-2-ylpropyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetamide?
The InChIKey is RKSYLHXWABTMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O5S2/c1-14(2)20(18-4-3-11-31-18)21-19(26)13-30-25-17-12-15(5-6-16(17)22-23-25)32(27,28)24-7-9-29-10-8-24/h3-6,11-12,14,20H,7-10,13H2,1-2H3,(H,21,26).
What are the key properties of N-(2-methyl-1-thiophen-2-ylpropyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetamide?
N-(2-methyl-1-thiophen-2-ylpropyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetamide has a molecular weight of 479.58 g/mol, XLogP of 1.46, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-thiophen-2-ylpropyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetamide is sourced from PubChem (CID 24581802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).