N-(4-methyl-3-sulfamoylphenyl)-3-piperidin-4-ylbutanamide

C16H25N3O3S — CID 119689561

IUPACN-(4-methyl-3-sulfamoylphenyl)-3-piperidin-4-ylbutanamide
SMILESCc1ccc(NC(=O)CC(C)C2CCNCC2)cc1S(N)(=O)=O
InChIInChI=1S/C16H25N3O3S/c1-11-3-4-14(10-15(11)23(17,21)22)19-16(20)9-12(2)13-5-7-18-8-6-13/h3-4,10,12-13,18H,5-9H2,1-2H3,(H,19,20)(H2,17,21,22)
InChIKeyRPSMSLPWIHOSGE-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.61
Rot. Bonds5

About N-(4-methyl-3-sulfamoylphenyl)-3-piperidin-4-ylbutanamide

N-(4-methyl-3-sulfamoylphenyl)-3-piperidin-4-ylbutanamide (PubChem CID 119689561) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-(4-methyl-3-sulfamoylphenyl)-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-(4-methyl-3-sulfamoylphenyl)-3-piperidin-4-ylbutanamide
PubChem CID119689561
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-(4-methyl-3-sulfamoylphenyl)-3-piperidin-4-ylbutanamide
SMILESCc1ccc(NC(=O)CC(C)C2CCNCC2)cc1S(N)(=O)=O
InChIInChI=1S/C16H25N3O3S/c1-11-3-4-14(10-15(11)23(17,21)22)19-16(20)9-12(2)13-5-7-18-8-6-13/h3-4,10,12-13,18H,5-9H2,1-2H3,(H,19,20)(H2,17,21,22)
InChIKeyRPSMSLPWIHOSGE-UHFFFAOYSA-N
XLogP1.61
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride
CID 119771549
2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119775199
N-(4-methyl-3-nitrophenyl)-3-piperidin-4-ylbutanamide
CID 119670842
N-(3-methyl-4-propan-2-yloxyphenyl)-3-piperidin-4-ylbutanamide
CID 119802609
2,2-dimethyl-N-[4-methyl-3-(3-piperidin-4-ylbutanoylamino)phenyl]propanamide
CID 119780736
N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119701454
methyl 2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzoate;hydrochloride
CID 119775418
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119725781
N-(3-acetamidophenyl)-3-piperidin-4-ylbutanamide
CID 119671646
2-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide;hydrochloride
CID 119780279
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate
CID 119671385

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-3-piperidin-4-ylbutanamide?
The IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-3-piperidin-4-ylbutanamide (CID 119689561) is N-(4-methyl-3-sulfamoylphenyl)-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-(4-methyl-3-sulfamoylphenyl)-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-(4-methyl-3-sulfamoylphenyl)-3-piperidin-4-ylbutanamide is Cc1ccc(NC(=O)CC(C)C2CCNCC2)cc1S(N)(=O)=O.
What is the InChIKey of N-(4-methyl-3-sulfamoylphenyl)-3-piperidin-4-ylbutanamide?
The InChIKey is RPSMSLPWIHOSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-11-3-4-14(10-15(11)23(17,21)22)19-16(20)9-12(2)13-5-7-18-8-6-13/h3-4,10,12-13,18H,5-9H2,1-2H3,(H,19,20)(H2,17,21,22).
What are the key properties of N-(4-methyl-3-sulfamoylphenyl)-3-piperidin-4-ylbutanamide?
N-(4-methyl-3-sulfamoylphenyl)-3-piperidin-4-ylbutanamide has a molecular weight of 339.46 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-sulfamoylphenyl)-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119689561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).