4-(diethylsulfamoyl)-N-(4-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide

C13H23N3O4S — CID 115283401

IUPAC4-(diethylsulfamoyl)-N-(4-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1c[nH]c(C(=O)NC(C)CCO)c1
InChIInChI=1S/C13H23N3O4S/c1-4-16(5-2)21(19,20)11-8-12(14-9-11)13(18)15-10(3)6-7-17/h8-10,14,17H,4-7H2,1-3H3,(H,15,18)
InChIKeyUXRPCUBOTOOZLR-UHFFFAOYSA-N
MW317.41 g/mol
LogP0.55
Rot. Bonds8

About 4-(diethylsulfamoyl)-N-(4-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide

4-(diethylsulfamoyl)-N-(4-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide (PubChem CID 115283401) has the molecular formula C13H23N3O4S and a molecular weight of 317.41 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-(4-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-(4-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide
PubChem CID115283401
Molecular FormulaC13H23N3O4S
Molecular Weight317.41 g/mol
Exact Mass317.14
IUPAC Name4-(diethylsulfamoyl)-N-(4-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1c[nH]c(C(=O)NC(C)CCO)c1
InChIInChI=1S/C13H23N3O4S/c1-4-16(5-2)21(19,20)11-8-12(14-9-11)13(18)15-10(3)6-7-17/h8-10,14,17H,4-7H2,1-3H3,(H,15,18)
InChIKeyUXRPCUBOTOOZLR-UHFFFAOYSA-N
XLogP0.55
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(diethylsulfamoyl)-N-(4-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[ethyl(2-methylbutyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 79477252
5-(5-methylhexan-2-ylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride
CID 65367479
5-(hydrazinecarbonyl)-N,N-dipropyl-1H-pyrrole-3-sulfonamide
CID 16780236
4-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 54997976
5-(4-methoxybutan-2-ylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride
CID 65367433
N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65388360
N-(1-methylsulfonylpropan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65380794
5-(hydrazinecarbonyl)-N,N-dimethyl-1H-pyrrole-3-sulfonamide
CID 16780083
N-(1-cyclopropylpropan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65387153
4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 107478999
N-[(2R)-butan-2-yl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2478774
N-[(2S)-1-aminopropan-2-yl]-3-(diethylsulfamoyl)benzamide
CID 120505672

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-(4-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-(4-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide (CID 115283401) is 4-(diethylsulfamoyl)-N-(4-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-(4-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-(4-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide is CCN(CC)S(=O)(=O)c1c[nH]c(C(=O)NC(C)CCO)c1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-(4-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is UXRPCUBOTOOZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4S/c1-4-16(5-2)21(19,20)11-8-12(14-9-11)13(18)15-10(3)6-7-17/h8-10,14,17H,4-7H2,1-3H3,(H,15,18).
What are the key properties of 4-(diethylsulfamoyl)-N-(4-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide?
4-(diethylsulfamoyl)-N-(4-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 0.55, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-(4-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 115283401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).