N-[2-(dimethylamino)-3-methylbutyl]-3-morpholin-4-ylsulfonylbenzamide

C18H29N3O4S — CID 42940229

IUPACN-[2-(dimethylamino)-3-methylbutyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCC(C)C(CNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N(C)C
InChIInChI=1S/C18H29N3O4S/c1-14(2)17(20(3)4)13-19-18(22)15-6-5-7-16(12-15)26(23,24)21-8-10-25-11-9-21/h5-7,12,14,17H,8-11,13H2,1-4H3,(H,19,22)
InChIKeyGZZRTMIWGQKQBZ-UHFFFAOYSA-N
MW383.51 g/mol
LogP1.02
Rot. Bonds7

About N-[2-(dimethylamino)-3-methylbutyl]-3-morpholin-4-ylsulfonylbenzamide

N-[2-(dimethylamino)-3-methylbutyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 42940229) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-methylbutyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-methylbutyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID42940229
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC NameN-[2-(dimethylamino)-3-methylbutyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCC(C)C(CNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N(C)C
InChIInChI=1S/C18H29N3O4S/c1-14(2)17(20(3)4)13-19-18(22)15-6-5-7-16(12-15)26(23,24)21-8-10-25-11-9-21/h5-7,12,14,17H,8-11,13H2,1-4H3,(H,19,22)
InChIKeyGZZRTMIWGQKQBZ-UHFFFAOYSA-N
XLogP1.02
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-3-methylbutyl]-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide
CID 43074877
N-[2-(dimethylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 50945849
N-[(2R)-2-hydroxy-2-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 1256857
3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)benzamide
CID 43064823
N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198
N-[(2S)-2-hydroxypropyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 86781822
N-[2-(dimethylamino)-3-methylbutyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 24650096
N-[(2R)-2-(diethylamino)-3-phenylpropyl]-3-morpholin-4-ylsulfonylbenzamide
CID 30885727
3-(4-formylpiperazin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide
CID 109062779
N-[(2R)-5-methylhexan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 7688948
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 45353538

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-methylbutyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(dimethylamino)-3-methylbutyl]-3-morpholin-4-ylsulfonylbenzamide (CID 42940229) is N-[2-(dimethylamino)-3-methylbutyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-methylbutyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)-3-methylbutyl]-3-morpholin-4-ylsulfonylbenzamide is CC(C)C(CNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-3-methylbutyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is GZZRTMIWGQKQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-14(2)17(20(3)4)13-19-18(22)15-6-5-7-16(12-15)26(23,24)21-8-10-25-11-9-21/h5-7,12,14,17H,8-11,13H2,1-4H3,(H,19,22).
What are the key properties of N-[2-(dimethylamino)-3-methylbutyl]-3-morpholin-4-ylsulfonylbenzamide?
N-[2-(dimethylamino)-3-methylbutyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 383.51 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-methylbutyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 42940229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).