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

C14H23N3O3S — CID 114612374

IUPACN-(1-cyclopropylpropan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
SMILESCC(CC1CC1)NC(=O)c1cc(S(N)(=O)=O)cn1C(C)C
InChIInChI=1S/C14H23N3O3S/c1-9(2)17-8-12(21(15,19)20)7-13(17)14(18)16-10(3)6-11-4-5-11/h7-11H,4-6H2,1-3H3,(H,16,18)(H2,15,19,20)
InChIKeyXXZBADSHNAMGNX-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.63
Rot. Bonds6

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

N-(1-cyclopropylpropan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 114612374) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
PubChem CID114612374
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-(1-cyclopropylpropan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
SMILESCC(CC1CC1)NC(=O)c1cc(S(N)(=O)=O)cn1C(C)C
InChIInChI=1S/C14H23N3O3S/c1-9(2)17-8-12(21(15,19)20)7-13(17)14(18)16-10(3)6-11-4-5-11/h7-11H,4-6H2,1-3H3,(H,16,18)(H2,15,19,20)
InChIKeyXXZBADSHNAMGNX-UHFFFAOYSA-N
XLogP1.63
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylpentan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114612172
N-(1-cyclopropylpropan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65387153
5-(1-cyclopropylpropan-2-ylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
CID 114611416
N-(cyclopropylmethyl)-N-ethyl-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114612366
N-(1-cyclopropylpropan-2-yl)-2-methyl-5-sulfamoylbenzamide
CID 63994388
N-(4-methylpentyl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114612342
5-(4-methylpentan-2-ylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride
CID 114611211
5-(4-methoxybutan-2-ylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride
CID 114611438
ethyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate
CID 114612614
5-(3-methylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 114612226
4-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluoro-5-sulfamoylbenzamide
CID 65388695
N-(1-methoxypropan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 60718274

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide (CID 114612374) is N-(1-cyclopropylpropan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide is CC(CC1CC1)NC(=O)c1cc(S(N)(=O)=O)cn1C(C)C.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is XXZBADSHNAMGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-9(2)17-8-12(21(15,19)20)7-13(17)14(18)16-10(3)6-11-4-5-11/h7-11H,4-6H2,1-3H3,(H,16,18)(H2,15,19,20).
What are the key properties of N-(1-cyclopropylpropan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide?
N-(1-cyclopropylpropan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 313.42 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 114612374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).