N-(4-aminocyclohexyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide

C16H23N3O4S — CID 119475337

IUPACN-(4-aminocyclohexyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide
SMILESNC1CCC(NC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CC1
InChIInChI=1S/C16H23N3O4S/c17-13-2-4-14(5-3-13)19-16(20)8-18-24(21,22)15-6-1-11-9-23-10-12(11)7-15/h1,6-7,13-14,18H,2-5,8-10,17H2,(H,19,20)
InChIKeyQKQMETONLROUMP-UHFFFAOYSA-N
MW353.44 g/mol
LogP0.38
Rot. Bonds5

About N-(4-aminocyclohexyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide

N-(4-aminocyclohexyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide (PubChem CID 119475337) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide
PubChem CID119475337
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC NameN-(4-aminocyclohexyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide
SMILESNC1CCC(NC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CC1
InChIInChI=1S/C16H23N3O4S/c17-13-2-4-14(5-3-13)19-16(20)8-18-24(21,22)15-6-1-11-9-23-10-12(11)7-15/h1,6-7,13-14,18H,2-5,8-10,17H2,(H,19,20)
InChIKeyQKQMETONLROUMP-UHFFFAOYSA-N
XLogP0.38
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide;hydrochloride
CID 119613784
2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N-cyclopropylacetamide
CID 106919161
2-[[3-(aminomethyl)phenyl]sulfonylamino]-N-cyclopropylacetamide
CID 43568463
2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide
CID 81437936
N-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide
CID 119543527
2-[(4-carbamothioylphenyl)sulfonylamino]-N-cyclopropylacetamide
CID 43568529
2-[(3-carbamothioyl-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide
CID 63288468
N-cyclopropyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)sulfonylamino]acetamide
CID 110625100
2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide
CID 114613175
(2S)-1-[2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 119365630
2-[(3-cyano-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide
CID 63239304
2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-(2-piperazin-1-ylethyl)acetamide
CID 119445720

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide (CID 119475337) is N-(4-aminocyclohexyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide is NC1CCC(NC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide?
The InChIKey is QKQMETONLROUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c17-13-2-4-14(5-3-13)19-16(20)8-18-24(21,22)15-6-1-11-9-23-10-12(11)7-15/h1,6-7,13-14,18H,2-5,8-10,17H2,(H,19,20).
What are the key properties of N-(4-aminocyclohexyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide?
N-(4-aminocyclohexyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide has a molecular weight of 353.44 g/mol, XLogP of 0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide is sourced from PubChem (CID 119475337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).