N-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-piperidin-4-ylbutanamide

C19H29N3O3S — CID 119720516

IUPACN-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1)C1CCNCC1
InChIInChI=1S/C19H29N3O3S/c1-14(16-8-10-20-11-9-16)12-19(23)22-17-4-6-18(7-5-17)26(24,25)21-13-15-2-3-15/h4-7,14-16,20-21H,2-3,8-13H2,1H3,(H,22,23)
InChIKeyOYEUENQQEGIXCB-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.34
Rot. Bonds8

About N-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-piperidin-4-ylbutanamide

N-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-piperidin-4-ylbutanamide (PubChem CID 119720516) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-piperidin-4-ylbutanamide
PubChem CID119720516
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1)C1CCNCC1
InChIInChI=1S/C19H29N3O3S/c1-14(16-8-10-20-11-9-16)12-19(23)22-17-4-6-18(7-5-17)26(24,25)21-13-15-2-3-15/h4-7,14-16,20-21H,2-3,8-13H2,1H3,(H,22,23)
InChIKeyOYEUENQQEGIXCB-UHFFFAOYSA-N
XLogP2.34
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119701454
N-[4-(cyclopropylmethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 119287751
methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate
CID 119671385
3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119672812
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
(2S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-hydroxypropanamide
CID 167949883
3-piperidin-4-yl-N-[4-(propan-2-yloxymethyl)phenyl]butanamide;hydrochloride
CID 119742885
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119885324
3-piperidin-4-yl-N-thiophen-3-ylbutanamide;hydrochloride
CID 119788959
N-ethyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119714137
N-[4-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119669006
N-cyclopropyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119698553

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-piperidin-4-ylbutanamide (CID 119720516) is N-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-piperidin-4-ylbutanamide is CC(CC(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1)C1CCNCC1.
What is the InChIKey of N-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-piperidin-4-ylbutanamide?
The InChIKey is OYEUENQQEGIXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-14(16-8-10-20-11-9-16)12-19(23)22-17-4-6-18(7-5-17)26(24,25)21-13-15-2-3-15/h4-7,14-16,20-21H,2-3,8-13H2,1H3,(H,22,23).
What are the key properties of N-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-piperidin-4-ylbutanamide?
N-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-piperidin-4-ylbutanamide has a molecular weight of 379.53 g/mol, XLogP of 2.34, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119720516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).