N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide

C18H30N4O5S — CID 24529348

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C
InChIInChI=1S/C18H30N4O5S/c1-6-21(13-16(23)19-18(2,3)4)17(24)15-11-14(12-20(15)5)28(25,26)22-7-9-27-10-8-22/h11-12H,6-10,13H2,1-5H3,(H,19,23)
InChIKeyNALLMWYNCNJZFK-UHFFFAOYSA-N
MW414.53 g/mol
LogP0.42
Rot. Bonds6

About N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (PubChem CID 24529348) has the molecular formula C18H30N4O5S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
PubChem CID24529348
Molecular FormulaC18H30N4O5S
Molecular Weight414.53 g/mol
Exact Mass414.19
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C
InChIInChI=1S/C18H30N4O5S/c1-6-21(13-16(23)19-18(2,3)4)17(24)15-11-14(12-20(15)5)28(25,26)22-7-9-27-10-8-22/h11-12H,6-10,13H2,1-5H3,(H,19,23)
InChIKeyNALLMWYNCNJZFK-UHFFFAOYSA-N
XLogP0.42
TPSA100.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 39996010
N-tert-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 22519046
N-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 17411212
N-(2-aminoethyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 28818964
N-tert-butyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 20969680
N-[[2-(diethylaminomethyl)phenyl]methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 24532722
4-(diethylsulfamoyl)-1-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrrole-2-carboxamide
CID 16574135
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methylpyrrole-2-carboxamide
CID 71944585
1-methyl-4-morpholin-4-ylsulfonyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 22519089
2-chloro-N-ethyl-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 55343818
1-methyl-N-[2-(4-methylphenyl)ethyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 22519090
N-[2-(4-chlorophenoxy)ethyl]-N,1-dimethyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 16572548

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (CID 24529348) is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is CCN(CC(=O)NC(C)(C)C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is NALLMWYNCNJZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O5S/c1-6-21(13-16(23)19-18(2,3)4)17(24)15-11-14(12-20(15)5)28(25,26)22-7-9-27-10-8-22/h11-12H,6-10,13H2,1-5H3,(H,19,23).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 414.53 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 24529348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).