N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide

C17H28N4O5S — CID 39996010

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1
InChIInChI=1S/C17H28N4O5S/c1-5-20(12-15(22)19-17(2,3)4)16(23)14-10-13(11-18-14)27(24,25)21-6-8-26-9-7-21/h10-11,18H,5-9,12H2,1-4H3,(H,19,22)
InChIKeyKUHWWECQMHBPFR-UHFFFAOYSA-N
MW400.50 g/mol
LogP0.41
Rot. Bonds6

About N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide (PubChem CID 39996010) has the molecular formula C17H28N4O5S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
PubChem CID39996010
Molecular FormulaC17H28N4O5S
Molecular Weight400.50 g/mol
Exact Mass400.18
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1
InChIInChI=1S/C17H28N4O5S/c1-5-20(12-15(22)19-17(2,3)4)16(23)14-10-13(11-18-14)27(24,25)21-6-8-26-9-7-21/h10-11,18H,5-9,12H2,1-4H3,(H,19,22)
InChIKeyKUHWWECQMHBPFR-UHFFFAOYSA-N
XLogP0.41
TPSA111.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 24529348
N-butan-2-yl-N-methyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 47092131
4-morpholin-4-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide
CID 18104892
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 51110547
N-(4-ethylphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18106133
2-chloro-N-ethyl-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 55343818
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 55580182
N-[(2,4-dimethylphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 55582668
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonylbenzamide
CID 26266256
N-cyclohexyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18108637
N-cycloheptyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18107883
N-[(4-fluoro-3-methylphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18129849

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide (CID 39996010) is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide is CCN(CC(=O)NC(C)(C)C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
The InChIKey is KUHWWECQMHBPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O5S/c1-5-20(12-15(22)19-17(2,3)4)16(23)14-10-13(11-18-14)27(24,25)21-6-8-26-9-7-21/h10-11,18H,5-9,12H2,1-4H3,(H,19,22).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide has a molecular weight of 400.50 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 39996010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).