N-(4-ethylphenyl)-2-[3-(1-phenyltetrazol-5-yl)propylsulfonyl]propanamide

C21H25N5O3S — CID 47049486

IUPACN-(4-ethylphenyl)-2-[3-(1-phenyltetrazol-5-yl)propylsulfonyl]propanamide
SMILESCCc1ccc(NC(=O)C(C)S(=O)(=O)CCCc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C21H25N5O3S/c1-3-17-11-13-18(14-12-17)22-21(27)16(2)30(28,29)15-7-10-20-23-24-25-26(20)19-8-5-4-6-9-19/h4-6,8-9,11-14,16H,3,7,10,15H2,1-2H3,(H,22,27)
InChIKeyINRCTRXHBCIOMY-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.60
Rot. Bonds9

About N-(4-ethylphenyl)-2-[3-(1-phenyltetrazol-5-yl)propylsulfonyl]propanamide

N-(4-ethylphenyl)-2-[3-(1-phenyltetrazol-5-yl)propylsulfonyl]propanamide (PubChem CID 47049486) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[3-(1-phenyltetrazol-5-yl)propylsulfonyl]propanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[3-(1-phenyltetrazol-5-yl)propylsulfonyl]propanamide
PubChem CID47049486
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC NameN-(4-ethylphenyl)-2-[3-(1-phenyltetrazol-5-yl)propylsulfonyl]propanamide
SMILESCCc1ccc(NC(=O)C(C)S(=O)(=O)CCCc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C21H25N5O3S/c1-3-17-11-13-18(14-12-17)22-21(27)16(2)30(28,29)15-7-10-20-23-24-25-26(20)19-8-5-4-6-9-19/h4-6,8-9,11-14,16H,3,7,10,15H2,1-2H3,(H,22,27)
InChIKeyINRCTRXHBCIOMY-UHFFFAOYSA-N
XLogP2.60
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-ethylphenyl)-2-[3-(1-phenyltetrazol-5-yl)propylsulfonyl]propanamide 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

N-(4-ethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 555650
5-butyl-1-phenyltetrazole
CID 69031432
N-[4-[(1-phenyltetrazol-5-yl)methylsulfamoyl]phenyl]acetamide
CID 18565844
(2R)-N-phenyl-2-[(1-phenyltetrazol-5-yl)methyl-propylamino]propanamide
CID 52539253
2-(3-aminopropylsulfonyl)-N-phenylpropanamide
CID 79015099
2-but-2-enylsulfonyl-N-(4-ethylphenyl)propanamide
CID 76865501
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 7757116
2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid
CID 43467064
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(4-ethylphenyl)propanamide
CID 46572602
(2S)-2-benzylsulfonyl-N-phenylpropanamide
CID 51983101
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
1-(1-phenyltetrazol-5-yl)hexan-3-ol
CID 79422541

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[3-(1-phenyltetrazol-5-yl)propylsulfonyl]propanamide?
The IUPAC name of N-(4-ethylphenyl)-2-[3-(1-phenyltetrazol-5-yl)propylsulfonyl]propanamide (CID 47049486) is N-(4-ethylphenyl)-2-[3-(1-phenyltetrazol-5-yl)propylsulfonyl]propanamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[3-(1-phenyltetrazol-5-yl)propylsulfonyl]propanamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[3-(1-phenyltetrazol-5-yl)propylsulfonyl]propanamide is CCc1ccc(NC(=O)C(C)S(=O)(=O)CCCc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[3-(1-phenyltetrazol-5-yl)propylsulfonyl]propanamide?
The InChIKey is INRCTRXHBCIOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S/c1-3-17-11-13-18(14-12-17)22-21(27)16(2)30(28,29)15-7-10-20-23-24-25-26(20)19-8-5-4-6-9-19/h4-6,8-9,11-14,16H,3,7,10,15H2,1-2H3,(H,22,27).
What are the key properties of N-(4-ethylphenyl)-2-[3-(1-phenyltetrazol-5-yl)propylsulfonyl]propanamide?
N-(4-ethylphenyl)-2-[3-(1-phenyltetrazol-5-yl)propylsulfonyl]propanamide has a molecular weight of 427.53 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[3-(1-phenyltetrazol-5-yl)propylsulfonyl]propanamide is sourced from PubChem (CID 47049486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).