(2R)-N-benzyl-2-(4-chloro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide

C24H23ClN6O2S — CID 1143716

IUPAC(2R)-N-benzyl-2-(4-chloro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide
SMILESCC[C@H](C(=O)NCc1ccccc1)N(C(=O)Cn1nnc(-c2cccs2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C24H23ClN6O2S/c1-2-20(24(33)26-15-17-7-4-3-5-8-17)31(19-12-10-18(25)11-13-19)22(32)16-30-28-23(27-29-30)21-9-6-14-34-21/h3-14,20H,2,15-16H2,1H3,(H,26,33)/t20-/m1/s1
InChIKeyUXFKUAKTFIWYPZ-HXUWFJFHSA-N
MW495.01 g/mol
LogP4.18
Rot. Bonds9

About (2R)-N-benzyl-2-(4-chloro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide

(2R)-N-benzyl-2-(4-chloro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide (PubChem CID 1143716) has the molecular formula C24H23ClN6O2S and a molecular weight of 495.01 g/mol. Its IUPAC name is (2R)-N-benzyl-2-(4-chloro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-(4-chloro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide
PubChem CID1143716
Molecular FormulaC24H23ClN6O2S
Molecular Weight495.01 g/mol
Exact Mass494.13
IUPAC Name(2R)-N-benzyl-2-(4-chloro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide
SMILESCC[C@H](C(=O)NCc1ccccc1)N(C(=O)Cn1nnc(-c2cccs2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C24H23ClN6O2S/c1-2-20(24(33)26-15-17-7-4-3-5-8-17)31(19-12-10-18(25)11-13-19)22(32)16-30-28-23(27-29-30)21-9-6-14-34-21/h3-14,20H,2,15-16H2,1H3,(H,26,33)/t20-/m1/s1
InChIKeyUXFKUAKTFIWYPZ-HXUWFJFHSA-N
XLogP4.18
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.01
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-benzyl-2-(2-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide
CID 1143718
(2R)-2-(4-chloro-N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-[(4-fluorophenyl)methyl]butanamide
CID 1144117
2-(4-chloro-N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-[(4-fluorophenyl)methyl]butanamide
CID 3190272
2-(4-chloro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-N-[(4-fluorophenyl)methyl]-2-pyridin-4-ylacetamide
CID 23913642
N-benzyl-2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanamide
CID 3190185
(2S)-N-benzyl-2-(4-chlorophenyl)-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetamide
CID 1143740
(2S)-N-tert-butyl-2-(4-chlorophenyl)-2-(4-ethoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide
CID 98097096
2-[1,3-benzodioxol-5-yl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-benzyl-2-(4-hydroxyphenyl)acetamide
CID 3232562
(2R)-N-[(4-fluorophenyl)methyl]-2-[N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-3-(trifluoromethyl)anilino]pentanamide
CID 98097239
2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]butanamide
CID 3190262
N-benzyl-2-(4-hydroxyphenyl)-2-[N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-2-(trifluoromethyl)anilino]acetamide
CID 3190200
(2S)-N-[(4-fluorophenyl)methyl]-2-(4-hydroxyphenyl)-2-(2-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide
CID 1144152

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-(4-chloro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide?
The IUPAC name of (2R)-N-benzyl-2-(4-chloro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide (CID 1143716) is (2R)-N-benzyl-2-(4-chloro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide.
What is the SMILES notation for (2R)-N-benzyl-2-(4-chloro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide?
The canonical SMILES for (2R)-N-benzyl-2-(4-chloro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide is CC[C@H](C(=O)NCc1ccccc1)N(C(=O)Cn1nnc(-c2cccs2)n1)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-N-benzyl-2-(4-chloro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide?
The InChIKey is UXFKUAKTFIWYPZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H23ClN6O2S/c1-2-20(24(33)26-15-17-7-4-3-5-8-17)31(19-12-10-18(25)11-13-19)22(32)16-30-28-23(27-29-30)21-9-6-14-34-21/h3-14,20H,2,15-16H2,1H3,(H,26,33)/t20-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-(4-chloro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide?
(2R)-N-benzyl-2-(4-chloro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide has a molecular weight of 495.01 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-(4-chloro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide is sourced from PubChem (CID 1143716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).