N-(cyclopropylmethyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide

C17H23N5O2S — CID 2108077

IUPACN-(cyclopropylmethyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide
SMILESCCCN(CC1CC1)C(=O)CSc1nnnn1-c1ccc(OC)cc1
InChIInChI=1S/C17H23N5O2S/c1-3-10-21(11-13-4-5-13)16(23)12-25-17-18-19-20-22(17)14-6-8-15(24-2)9-7-14/h6-9,13H,3-5,10-12H2,1-2H3
InChIKeyNSGOFEAOBZNAAE-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.41
Rot. Bonds9

About N-(cyclopropylmethyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide

N-(cyclopropylmethyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide (PubChem CID 2108077) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide
PubChem CID2108077
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC NameN-(cyclopropylmethyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide
SMILESCCCN(CC1CC1)C(=O)CSc1nnnn1-c1ccc(OC)cc1
InChIInChI=1S/C17H23N5O2S/c1-3-10-21(11-13-4-5-13)16(23)12-25-17-18-19-20-22(17)14-6-8-15(24-2)9-7-14/h6-9,13H,3-5,10-12H2,1-2H3
InChIKeyNSGOFEAOBZNAAE-UHFFFAOYSA-N
XLogP2.41
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopropylmethyl)-N-propylacetamide
CID 2453380
N-(cyclopenten-1-yl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide
CID 8682505
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 2389910
3-(N-[2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylacetyl]-4-methoxyanilino)propanamide
CID 24573541
N,N-dibutyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8793085
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-1-piperidin-1-ylethanone
CID 713698
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2R)-pentan-2-yl]acetamide
CID 2696351
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N,N-diethylacetamide
CID 5022235
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 8682496
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 6600841
N-[(2-fluorophenyl)methyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 8682452
N-[(2-bromophenyl)methyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 42069056

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide (CID 2108077) is N-(cyclopropylmethyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide is CCCN(CC1CC1)C(=O)CSc1nnnn1-c1ccc(OC)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide?
The InChIKey is NSGOFEAOBZNAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-3-10-21(11-13-4-5-13)16(23)12-25-17-18-19-20-22(17)14-6-8-15(24-2)9-7-14/h6-9,13H,3-5,10-12H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide?
N-(cyclopropylmethyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide has a molecular weight of 361.47 g/mol, XLogP of 2.41, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide is sourced from PubChem (CID 2108077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).