N-[[5-[cyclopropyl-[(1S)-1-pyridin-2-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide

C17H21N3O3S2 — CID 52514495

IUPACN-[[5-[cyclopropyl-[(1S)-1-pyridin-2-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)N(C2CC2)[C@@H](C)c2ccccn2)s1
InChIInChI=1S/C17H21N3O3S2/c1-12(16-5-3-4-10-18-16)20(14-6-7-14)25(22,23)17-9-8-15(24-17)11-19-13(2)21/h3-5,8-10,12,14H,6-7,11H2,1-2H3,(H,19,21)/t12-/m0/s1
InChIKeyDRYHZTAYWNWHSX-LBPRGKRZSA-N
MW379.51 g/mol
LogP2.69
Rot. Bonds7

About N-[[5-[cyclopropyl-[(1S)-1-pyridin-2-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide

N-[[5-[cyclopropyl-[(1S)-1-pyridin-2-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide (PubChem CID 52514495) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-[[5-[cyclopropyl-[(1S)-1-pyridin-2-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[cyclopropyl-[(1S)-1-pyridin-2-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
PubChem CID52514495
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC NameN-[[5-[cyclopropyl-[(1S)-1-pyridin-2-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)N(C2CC2)[C@@H](C)c2ccccn2)s1
InChIInChI=1S/C17H21N3O3S2/c1-12(16-5-3-4-10-18-16)20(14-6-7-14)25(22,23)17-9-8-15(24-17)11-19-13(2)21/h3-5,8-10,12,14H,6-7,11H2,1-2H3,(H,19,21)/t12-/m0/s1
InChIKeyDRYHZTAYWNWHSX-LBPRGKRZSA-N
XLogP2.69
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-[cyclopropyl-[(1S)-1-pyridin-2-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide with MolForge

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Related Compounds

1-methyl-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1-(1-pyridin-2-ylethyl)urea
CID 86862939
N-[[5-(dipropylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 30963365
N-[[5-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 98706346
N-[[5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 55384100
N-[[5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 51097870
N-[[5-[1-(4-phenylphenyl)ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 42918243
N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]pyridine-2-carboxamide
CID 47135355
N-[[5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 47006141
N-[[5-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 39793291
N-[[5-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)thiophen-2-yl]methyl]acetamide
CID 34102952
N-[[5-(4-methyl-2-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride
CID 60594688
N-[[5-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 39793693

Frequently Asked Questions

What is the IUPAC name of N-[[5-[cyclopropyl-[(1S)-1-pyridin-2-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[cyclopropyl-[(1S)-1-pyridin-2-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide (CID 52514495) is N-[[5-[cyclopropyl-[(1S)-1-pyridin-2-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[cyclopropyl-[(1S)-1-pyridin-2-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[cyclopropyl-[(1S)-1-pyridin-2-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide is CC(=O)NCc1ccc(S(=O)(=O)N(C2CC2)[C@@H](C)c2ccccn2)s1.
What is the InChIKey of N-[[5-[cyclopropyl-[(1S)-1-pyridin-2-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is DRYHZTAYWNWHSX-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c1-12(16-5-3-4-10-18-16)20(14-6-7-14)25(22,23)17-9-8-15(24-17)11-19-13(2)21/h3-5,8-10,12,14H,6-7,11H2,1-2H3,(H,19,21)/t12-/m0/s1.
What are the key properties of N-[[5-[cyclopropyl-[(1S)-1-pyridin-2-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide?
N-[[5-[cyclopropyl-[(1S)-1-pyridin-2-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 379.51 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[cyclopropyl-[(1S)-1-pyridin-2-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 52514495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).