(3S)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1-naphthalen-1-ylsulfonylpiperidine-3-carboxamide

C24H24N6O3S — CID 1445961

IUPAC(3S)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1-naphthalen-1-ylsulfonylpiperidine-3-carboxamide
SMILESCc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4ccccc34)C2)ccc1-n1cnnn1
InChIInChI=1S/C24H24N6O3S/c1-17-14-20(11-12-22(17)30-16-25-27-28-30)26-24(31)19-8-5-13-29(15-19)34(32,33)23-10-4-7-18-6-2-3-9-21(18)23/h2-4,6-7,9-12,14,16,19H,5,8,13,15H2,1H3,(H,26,31)/t19-/m0/s1
InChIKeyLMQWRHHAXYQJOC-IBGZPJMESA-N
MW476.56 g/mol
LogP3.16
Rot. Bonds5

About (3S)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1-naphthalen-1-ylsulfonylpiperidine-3-carboxamide

(3S)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1-naphthalen-1-ylsulfonylpiperidine-3-carboxamide (PubChem CID 1445961) has the molecular formula C24H24N6O3S and a molecular weight of 476.56 g/mol. Its IUPAC name is (3S)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1-naphthalen-1-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1-naphthalen-1-ylsulfonylpiperidine-3-carboxamide
PubChem CID1445961
Molecular FormulaC24H24N6O3S
Molecular Weight476.56 g/mol
Exact Mass476.16
IUPAC Name(3S)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1-naphthalen-1-ylsulfonylpiperidine-3-carboxamide
SMILESCc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4ccccc34)C2)ccc1-n1cnnn1
InChIInChI=1S/C24H24N6O3S/c1-17-14-20(11-12-22(17)30-16-25-27-28-30)26-24(31)19-8-5-13-29(15-19)34(32,33)23-10-4-7-18-6-2-3-9-21(18)23/h2-4,6-7,9-12,14,16,19H,5,8,13,15H2,1H3,(H,26,31)/t19-/m0/s1
InChIKeyLMQWRHHAXYQJOC-IBGZPJMESA-N
XLogP3.16
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 51956219
(3S)-N-(2-methylphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 1456951
N-(3,4-dimethylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254940
(3R)-1-ethylsulfonyl-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 95194931
N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 42923024
N-(2,5-dimethylphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 3214827
(3R)-N-(4-ethoxyphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 1458111
(3S)-1-(dimethylsulfamoyl)-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 30397988
N-(3,5-dimethoxyphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 3215993
ethyl 3-[[(3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-3-carbonyl]amino]benzoate
CID 92661342
N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 55526925
N-(3,4-difluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
CID 20876148

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1-naphthalen-1-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1-naphthalen-1-ylsulfonylpiperidine-3-carboxamide (CID 1445961) is (3S)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1-naphthalen-1-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1-naphthalen-1-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1-naphthalen-1-ylsulfonylpiperidine-3-carboxamide is Cc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4ccccc34)C2)ccc1-n1cnnn1.
What is the InChIKey of (3S)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1-naphthalen-1-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is LMQWRHHAXYQJOC-IBGZPJMESA-N. The full InChI is InChI=1S/C24H24N6O3S/c1-17-14-20(11-12-22(17)30-16-25-27-28-30)26-24(31)19-8-5-13-29(15-19)34(32,33)23-10-4-7-18-6-2-3-9-21(18)23/h2-4,6-7,9-12,14,16,19H,5,8,13,15H2,1H3,(H,26,31)/t19-/m0/s1.
What are the key properties of (3S)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1-naphthalen-1-ylsulfonylpiperidine-3-carboxamide?
(3S)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1-naphthalen-1-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 476.56 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1-naphthalen-1-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 1445961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).