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

C14H25N3O3S — CID 114612342

IUPACN-(4-methylpentyl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
SMILESCC(C)CCCNC(=O)c1cc(S(N)(=O)=O)cn1C(C)C
InChIInChI=1S/C14H25N3O3S/c1-10(2)6-5-7-16-14(18)13-8-12(21(15,19)20)9-17(13)11(3)4/h8-11H,5-7H2,1-4H3,(H,16,18)(H2,15,19,20)
InChIKeyLOEPINUGWVROCV-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.88
Rot. Bonds7

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

N-(4-methylpentyl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 114612342) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(4-methylpentyl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylpentyl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
PubChem CID114612342
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC NameN-(4-methylpentyl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
SMILESCC(C)CCCNC(=O)c1cc(S(N)(=O)=O)cn1C(C)C
InChIInChI=1S/C14H25N3O3S/c1-10(2)6-5-7-16-14(18)13-8-12(21(15,19)20)9-17(13)11(3)4/h8-11H,5-7H2,1-4H3,(H,16,18)(H2,15,19,20)
InChIKeyLOEPINUGWVROCV-UHFFFAOYSA-N
XLogP1.88
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-(piperazine-1-sulfonyl)-1H-pyrrole-2-carboxamide
CID 9504111
1-methyl-N-(4-methylcyclohexyl)-2-pyrrolecarboxamide
CID 25161651
N-(cyclohexylmethyl)-1-methylpyrrole-2-carboxamide
CID 24819634
Ethyl 4-[1-methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]piperazine-1-carboxylate
CID 3242023
ethyl 4-({[1-methyl-4-(pyrrolidin-1-ylsulfonyl)-1H-pyrrol-2-yl]carbonyl}amino)piperidine-1-carboxylate
CID 3244091
1-[1-Methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]-4-phenylpiperazine
CID 6625570
N,1-Dimethyl-N-(4-methylphenyl)-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxamide
CID 6625756
N-(4-Ethylphenyl)-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxamide
CID 6626029
1-Methyl-4-(pyrrolidine-1-sulfonyl)-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 16017823
N-(2-ethylphenyl)-1-methyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrrole-2-carboxamide
CID 16028968
N-(3,5-dimethylphenyl)-1-methyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrrole-2-carboxamide
CID 16029015
1-Methyl-4-(pyrrolidine-1-sulfonyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 22518956

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentyl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of N-(4-methylpentyl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide (CID 114612342) is N-(4-methylpentyl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for N-(4-methylpentyl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for N-(4-methylpentyl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide is CC(C)CCCNC(=O)c1cc(S(N)(=O)=O)cn1C(C)C.
What is the InChIKey of N-(4-methylpentyl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is LOEPINUGWVROCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-10(2)6-5-7-16-14(18)13-8-12(21(15,19)20)9-17(13)11(3)4/h8-11H,5-7H2,1-4H3,(H,16,18)(H2,15,19,20).
What are the key properties of N-(4-methylpentyl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide?
N-(4-methylpentyl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 114612342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).