N-(4-methylpentan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide

C14H25N3O3S — CID 114612172

IUPACN-(4-methylpentan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
SMILESCC(C)CC(C)NC(=O)c1cc(S(N)(=O)=O)cn1C(C)C
InChIInChI=1S/C14H25N3O3S/c1-9(2)6-11(5)16-14(18)13-7-12(21(15,19)20)8-17(13)10(3)4/h7-11H,6H2,1-5H3,(H,16,18)(H2,15,19,20)
InChIKeyFAZRTBMLHHMVBF-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.88
Rot. Bonds6

About N-(4-methylpentan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide

N-(4-methylpentan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 114612172) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(4-methylpentan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylpentan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
PubChem CID114612172
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC NameN-(4-methylpentan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
SMILESCC(C)CC(C)NC(=O)c1cc(S(N)(=O)=O)cn1C(C)C
InChIInChI=1S/C14H25N3O3S/c1-9(2)6-11(5)16-14(18)13-7-12(21(15,19)20)8-17(13)10(3)4/h7-11H,6H2,1-5H3,(H,16,18)(H2,15,19,20)
InChIKeyFAZRTBMLHHMVBF-UHFFFAOYSA-N
XLogP1.88
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylpentan-2-ylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride
CID 114611211
N-(1-cyclopropylpropan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114612374
N-(4-methylpentyl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114612342
ethyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate
CID 114612614
5-(4-methoxybutan-2-ylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride
CID 114611438
N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65388360
N-(1-methoxypropan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 60718274
N-(1-ethoxypropan-2-yl)-1-ethyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612273
N-ethyl-1-propan-2-yl-N-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612110
3,3-dimethylbutyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate
CID 114612788
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

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of N-(4-methylpentan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide (CID 114612172) is N-(4-methylpentan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for N-(4-methylpentan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for N-(4-methylpentan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide is CC(C)CC(C)NC(=O)c1cc(S(N)(=O)=O)cn1C(C)C.
What is the InChIKey of N-(4-methylpentan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is FAZRTBMLHHMVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-9(2)6-11(5)16-14(18)13-7-12(21(15,19)20)8-17(13)10(3)4/h7-11H,6H2,1-5H3,(H,16,18)(H2,15,19,20).
What are the key properties of N-(4-methylpentan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide?
N-(4-methylpentan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 114612172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).