N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-thiophen-2-ylbutanamide

C18H19N5OS — CID 31404594

IUPACN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1ccc(-c2nnnn2C2CC2)cc1
InChIInChI=1S/C18H19N5OS/c24-17(5-1-3-16-4-2-12-25-16)19-14-8-6-13(7-9-14)18-20-21-22-23(18)15-10-11-15/h2,4,6-9,12,15H,1,3,5,10-11H2,(H,19,24)
InChIKeyYPENVOIBJQQAFJ-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.70
Rot. Bonds7

About N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-thiophen-2-ylbutanamide

N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-thiophen-2-ylbutanamide (PubChem CID 31404594) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-thiophen-2-ylbutanamide
PubChem CID31404594
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC NameN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1ccc(-c2nnnn2C2CC2)cc1
InChIInChI=1S/C18H19N5OS/c24-17(5-1-3-16-4-2-12-25-16)19-14-8-6-13(7-9-14)18-20-21-22-23(18)15-10-11-15/h2,4,6-9,12,15H,1,3,5,10-11H2,(H,19,24)
InChIKeyYPENVOIBJQQAFJ-UHFFFAOYSA-N
XLogP3.70
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 30702107
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(2-ethoxyphenoxy)butanamide
CID 55536713
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 55536860
4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]butanamide
CID 63309384
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide
CID 31404712
(E)-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]but-2-enamide
CID 112725246
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 46548477
N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 124841571
N-[2-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoylamino]ethyl]benzamide
CID 55698362
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyridine-2-carboxamide
CID 30701945
N-[4-(2-methylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide
CID 26907103
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-phenylsulfanylbutanamide
CID 24590710

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-thiophen-2-ylbutanamide (CID 31404594) is N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)Nc1ccc(-c2nnnn2C2CC2)cc1.
What is the InChIKey of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-thiophen-2-ylbutanamide?
The InChIKey is YPENVOIBJQQAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c24-17(5-1-3-16-4-2-12-25-16)19-14-8-6-13(7-9-14)18-20-21-22-23(18)15-10-11-15/h2,4,6-9,12,15H,1,3,5,10-11H2,(H,19,24).
What are the key properties of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-thiophen-2-ylbutanamide?
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-thiophen-2-ylbutanamide has a molecular weight of 353.45 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 31404594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).