N-(cyclopropylmethyl)-N-ethyl-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide

C14H23N3O3S — CID 114612366

IUPACN-(cyclopropylmethyl)-N-ethyl-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
SMILESCCN(CC1CC1)C(=O)c1cc(S(N)(=O)=O)cn1C(C)C
InChIInChI=1S/C14H23N3O3S/c1-4-16(8-11-5-6-11)14(18)13-7-12(21(15,19)20)9-17(13)10(2)3/h7,9-11H,4-6,8H2,1-3H3,(H2,15,19,20)
InChIKeySQMXAAHNBKTNBH-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.59
Rot. Bonds6

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

N-(cyclopropylmethyl)-N-ethyl-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 114612366) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-ethyl-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-ethyl-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
PubChem CID114612366
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-(cyclopropylmethyl)-N-ethyl-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
SMILESCCN(CC1CC1)C(=O)c1cc(S(N)(=O)=O)cn1C(C)C
InChIInChI=1S/C14H23N3O3S/c1-4-16(8-11-5-6-11)14(18)13-7-12(21(15,19)20)9-17(13)10(2)3/h7,9-11H,4-6,8H2,1-3H3,(H2,15,19,20)
InChIKeySQMXAAHNBKTNBH-UHFFFAOYSA-N
XLogP1.59
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-propan-2-yl-N-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612110
N-(1-cyclopropylpropan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114612374
5-[cyclopropylmethyl(ethyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65367480
ethyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate
CID 114612614
N-(cyclopropylmethyl)-N-methyl-1-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612217
N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 102558605
5-(3-methylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 114612226
3-chloro-N-(cyclobutylmethyl)-N-ethyl-5-sulfamoylbenzamide
CID 107400421
3-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfamoylbenzamide
CID 107400412
pentan-2-yl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate
CID 102988547
2-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]acetic acid
CID 61022936
2-methylpentyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate
CID 103286182

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-ethyl-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-ethyl-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide (CID 114612366) is N-(cyclopropylmethyl)-N-ethyl-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-ethyl-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-ethyl-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide is CCN(CC1CC1)C(=O)c1cc(S(N)(=O)=O)cn1C(C)C.
What is the InChIKey of N-(cyclopropylmethyl)-N-ethyl-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is SQMXAAHNBKTNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-4-16(8-11-5-6-11)14(18)13-7-12(21(15,19)20)9-17(13)10(2)3/h7,9-11H,4-6,8H2,1-3H3,(H2,15,19,20).
What are the key properties of N-(cyclopropylmethyl)-N-ethyl-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide?
N-(cyclopropylmethyl)-N-ethyl-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 313.42 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-(cyclopropylmethyl)-N-ethyl-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 114612366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).