2-methyl-N'-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]furan-3-carbohydrazide

C22H27N5O5S — CID 27170440

IUPAC2-methyl-N'-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]furan-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C
InChIInChI=1S/C22H27N5O5S/c1-15-17(10-13-32-15)22(29)25-24-21(28)9-8-20-23-18-14-16(6-7-19(18)26(20)2)33(30,31)27-11-4-3-5-12-27/h6-7,10,13-14H,3-5,8-9,11-12H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyUKLSQFLXYGABGE-UHFFFAOYSA-N
MW473.56 g/mol
LogP2.04
Rot. Bonds6

About 2-methyl-N'-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]furan-3-carbohydrazide

2-methyl-N'-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]furan-3-carbohydrazide (PubChem CID 27170440) has the molecular formula C22H27N5O5S and a molecular weight of 473.56 g/mol. Its IUPAC name is 2-methyl-N'-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-N'-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]furan-3-carbohydrazide
PubChem CID27170440
Molecular FormulaC22H27N5O5S
Molecular Weight473.56 g/mol
Exact Mass473.17
IUPAC Name2-methyl-N'-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]furan-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C
InChIInChI=1S/C22H27N5O5S/c1-15-17(10-13-32-15)22(29)25-24-21(28)9-8-20-23-18-14-16(6-7-19(18)26(20)2)33(30,31)27-11-4-3-5-12-27/h6-7,10,13-14H,3-5,8-9,11-12H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyUKLSQFLXYGABGE-UHFFFAOYSA-N
XLogP2.04
TPSA126.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methyl-N'-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]furan-3-carbohydrazide 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

2-fluoro-N'-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]benzohydrazide
CID 34263110
3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 29369220
1-(azepan-1-yl)-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propan-1-one
CID 27658996
N-(3-hydroxypropyl)-3-(1-methyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 70708631
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 43005077
N-(5-chloro-2-methylphenyl)-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 26894174
3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-(oxan-3-yl)propanamide
CID 56559217
N-(2-fluoro-5-methylphenyl)-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 30279700
3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-(4-methylsulfanylphenyl)propanamide
CID 42369093
N-[(4-fluorophenyl)methyl]-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 4881682
ethyl 4-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]piperazine-1-carboxylate
CID 43002313
3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-(1-pyridin-4-ylethyl)propanamide
CID 43005992

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]furan-3-carbohydrazide?
The IUPAC name of 2-methyl-N'-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]furan-3-carbohydrazide (CID 27170440) is 2-methyl-N'-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-methyl-N'-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]furan-3-carbohydrazide?
The canonical SMILES for 2-methyl-N'-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]furan-3-carbohydrazide is Cc1occc1C(=O)NNC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C.
What is the InChIKey of 2-methyl-N'-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]furan-3-carbohydrazide?
The InChIKey is UKLSQFLXYGABGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O5S/c1-15-17(10-13-32-15)22(29)25-24-21(28)9-8-20-23-18-14-16(6-7-19(18)26(20)2)33(30,31)27-11-4-3-5-12-27/h6-7,10,13-14H,3-5,8-9,11-12H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of 2-methyl-N'-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]furan-3-carbohydrazide?
2-methyl-N'-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]furan-3-carbohydrazide has a molecular weight of 473.56 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]furan-3-carbohydrazide is sourced from PubChem (CID 27170440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).