N-[1-(ethylamino)-1-oxopropan-2-yl]-3-morpholin-4-ylsulfonylbenzamide

C16H23N3O5S — CID 45353538

IUPACN-[1-(ethylamino)-1-oxopropan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCCNC(=O)C(C)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H23N3O5S/c1-3-17-15(20)12(2)18-16(21)13-5-4-6-14(11-13)25(22,23)19-7-9-24-10-8-19/h4-6,11-12H,3,7-10H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyBPPZAPFCKWLQTO-UHFFFAOYSA-N
MW369.44 g/mol
LogP-0.04
Rot. Bonds6

About N-[1-(ethylamino)-1-oxopropan-2-yl]-3-morpholin-4-ylsulfonylbenzamide

N-[1-(ethylamino)-1-oxopropan-2-yl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 45353538) has the molecular formula C16H23N3O5S and a molecular weight of 369.44 g/mol. Its IUPAC name is N-[1-(ethylamino)-1-oxopropan-2-yl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(ethylamino)-1-oxopropan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID45353538
Molecular FormulaC16H23N3O5S
Molecular Weight369.44 g/mol
Exact Mass369.14
IUPAC NameN-[1-(ethylamino)-1-oxopropan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCCNC(=O)C(C)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H23N3O5S/c1-3-17-15(20)12(2)18-16(21)13-5-4-6-14(11-13)25(22,23)19-7-9-24-10-8-19/h4-6,11-12H,3,7-10H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyBPPZAPFCKWLQTO-UHFFFAOYSA-N
XLogP-0.04
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-morpholin-4-ylsulfonyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
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N-[(2R)-5-methylhexan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 7688948
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733751
3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 4541490
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 51110547
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 11932722
N-[(1S)-1-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 9481709
4-methoxy-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid
CID 120702004
N-[(2S)-1-[(2-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 24537089
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 7733419
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CID 43011512

Frequently Asked Questions

What is the IUPAC name of N-[1-(ethylamino)-1-oxopropan-2-yl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[1-(ethylamino)-1-oxopropan-2-yl]-3-morpholin-4-ylsulfonylbenzamide (CID 45353538) is N-[1-(ethylamino)-1-oxopropan-2-yl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[1-(ethylamino)-1-oxopropan-2-yl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[1-(ethylamino)-1-oxopropan-2-yl]-3-morpholin-4-ylsulfonylbenzamide is CCNC(=O)C(C)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-[1-(ethylamino)-1-oxopropan-2-yl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is BPPZAPFCKWLQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5S/c1-3-17-15(20)12(2)18-16(21)13-5-4-6-14(11-13)25(22,23)19-7-9-24-10-8-19/h4-6,11-12H,3,7-10H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[1-(ethylamino)-1-oxopropan-2-yl]-3-morpholin-4-ylsulfonylbenzamide?
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 369.44 g/mol, XLogP of -0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethylamino)-1-oxopropan-2-yl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 45353538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).