N-(2-amino-1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide

C16H23N3O4S — CID 119615604

IUPACN-(2-amino-1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESNCC(NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C1CC1
InChIInChI=1S/C16H23N3O4S/c17-11-15(12-4-5-12)18-16(20)13-2-1-3-14(10-13)24(21,22)19-6-8-23-9-7-19/h1-3,10,12,15H,4-9,11,17H2,(H,18,20)
InChIKeyYQASFACXNHTFRO-UHFFFAOYSA-N
MW353.44 g/mol
LogP0.17
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide

N-(2-amino-1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 119615604) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID119615604
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESNCC(NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C1CC1
InChIInChI=1S/C16H23N3O4S/c17-11-15(12-4-5-12)18-16(20)13-2-1-3-14(10-13)24(21,22)19-6-8-23-9-7-19/h1-3,10,12,15H,4-9,11,17H2,(H,18,20)
InChIKeyYQASFACXNHTFRO-UHFFFAOYSA-N
XLogP0.17
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024
N-[(2R)-5-methylhexan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 7688948
3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 4541490
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 45353538
N-[1-(1-adamantyl)propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 43011512
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198
3-morpholin-4-ylsulfonyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733022
3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2963679
N-[(1S)-1-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 9481709
N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081958
N-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 119612805
diethyl 5-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 26874310

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide (CID 119615604) is N-(2-amino-1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide is NCC(NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is YQASFACXNHTFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c17-11-15(12-4-5-12)18-16(20)13-2-1-3-14(10-13)24(21,22)19-6-8-23-9-7-19/h1-3,10,12,15H,4-9,11,17H2,(H,18,20).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide?
N-(2-amino-1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 353.44 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 119615604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).