N-ethyl-1-propan-2-yl-N-propyl-4-sulfamoylpyrrole-2-carboxamide

C13H23N3O3S — CID 114612110

IUPACN-ethyl-1-propan-2-yl-N-propyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCCCN(CC)C(=O)c1cc(S(N)(=O)=O)cn1C(C)C
InChIInChI=1S/C13H23N3O3S/c1-5-7-15(6-2)13(17)12-8-11(20(14,18)19)9-16(12)10(3)4/h8-10H,5-7H2,1-4H3,(H2,14,18,19)
InChIKeyWESZJEHTLJSOKC-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.59
Rot. Bonds6

About N-ethyl-1-propan-2-yl-N-propyl-4-sulfamoylpyrrole-2-carboxamide

N-ethyl-1-propan-2-yl-N-propyl-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 114612110) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-ethyl-1-propan-2-yl-N-propyl-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-propan-2-yl-N-propyl-4-sulfamoylpyrrole-2-carboxamide
PubChem CID114612110
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC NameN-ethyl-1-propan-2-yl-N-propyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCCCN(CC)C(=O)c1cc(S(N)(=O)=O)cn1C(C)C
InChIInChI=1S/C13H23N3O3S/c1-5-7-15(6-2)13(17)12-8-11(20(14,18)19)9-16(12)10(3)4/h8-10H,5-7H2,1-4H3,(H2,14,18,19)
InChIKeyWESZJEHTLJSOKC-UHFFFAOYSA-N
XLogP1.59
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-N-ethyl-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114612366
4-amino-N-ethyl-1-propan-2-yl-N-propylpyrrole-2-carboxamide
CID 43643428
ethyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate
CID 114612614
pentan-2-yl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate
CID 102988547
2-methylpentyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate
CID 103286182
N-(2-ethoxyethyl)-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 63722565
4-amino-N,1-di(propan-2-yl)-N-propylpyrrole-2-carboxamide
CID 43643434
2-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]acetic acid
CID 61022936
N-(4-methylpentyl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114612342
N-(4-methylpentan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114612172
1-cyclopropyl-N-propan-2-yl-N-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612118
1-ethyl-N-methyl-N-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612124

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-propan-2-yl-N-propyl-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of N-ethyl-1-propan-2-yl-N-propyl-4-sulfamoylpyrrole-2-carboxamide (CID 114612110) is N-ethyl-1-propan-2-yl-N-propyl-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for N-ethyl-1-propan-2-yl-N-propyl-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for N-ethyl-1-propan-2-yl-N-propyl-4-sulfamoylpyrrole-2-carboxamide is CCCN(CC)C(=O)c1cc(S(N)(=O)=O)cn1C(C)C.
What is the InChIKey of N-ethyl-1-propan-2-yl-N-propyl-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is WESZJEHTLJSOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-5-7-15(6-2)13(17)12-8-11(20(14,18)19)9-16(12)10(3)4/h8-10H,5-7H2,1-4H3,(H2,14,18,19).
What are the key properties of N-ethyl-1-propan-2-yl-N-propyl-4-sulfamoylpyrrole-2-carboxamide?
N-ethyl-1-propan-2-yl-N-propyl-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-propan-2-yl-N-propyl-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 114612110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).